Cas no 1250409-48-3 (1-(2,4-difluorophenyl)-3-methoxypropan-2-amine)
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine Chemical and Physical Properties
Names and Identifiers
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- Benzeneethanamine, 2,4-difluoro-α-(methoxymethyl)-
- 1-(2,4-Difluorophenyl)-3-methoxypropan-2-amine
- EN300-2111546
- CS-0239369
- AKOS011477985
- 1250409-48-3
- 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
-
- Inchi: 1S/C10H13F2NO/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12/h2-3,5,9H,4,6,13H2,1H3
- InChI Key: BAKPKQVHOYVXNI-UHFFFAOYSA-N
- SMILES: C(C1C=CC(F)=CC=1F)C(N)COC
Computed Properties
- Exact Mass: 201.09652036g/mol
- Monoisotopic Mass: 201.09652036g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- Density: 1.155±0.06 g/cm3(Predicted)
- Boiling Point: 272.9±40.0 °C(Predicted)
- pka: 7.61±0.10(Predicted)
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-2111546-1g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 1g |
$914.0 | 2023-09-16 | |
| Enamine | EN300-2111546-5g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 5g |
$2650.0 | 2023-09-16 | |
| Enamine | EN300-2111546-10g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 10g |
$3929.0 | 2023-09-16 | |
| Enamine | EN300-2111546-0.05g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 0.05g |
$212.0 | 2023-09-16 | |
| Enamine | EN300-2111546-0.1g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 0.1g |
$317.0 | 2023-09-16 | |
| Enamine | EN300-2111546-0.25g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 0.25g |
$452.0 | 2023-09-16 | |
| Enamine | EN300-2111546-0.5g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 0.5g |
$713.0 | 2023-09-16 | |
| Enamine | EN300-2111546-1.0g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 1g |
$914.0 | 2023-05-31 | |
| Enamine | EN300-2111546-2.5g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 2.5g |
$1791.0 | 2023-09-16 | |
| Enamine | EN300-2111546-5.0g |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine |
1250409-48-3 | 95% | 5g |
$2650.0 | 2023-05-31 |
1-(2,4-difluorophenyl)-3-methoxypropan-2-amine Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
Additional information on 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
Professional Introduction to Compound with CAS No. 1250409-48-3 and Product Name: 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine
The compound with the CAS number 1250409-48-3 and the product name 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural features, has garnered considerable attention due to its potential applications in medicinal chemistry and drug development. The molecular structure incorporates both 2,4-difluorophenyl and methoxypropan-2-amine moieties, which contribute to its distinct chemical properties and biological activities.
In recent years, the pharmaceutical industry has witnessed a surge in the exploration of fluorinated aromatic compounds due to their enhanced metabolic stability, improved binding affinity, and increased bioavailability. The presence of fluoro substituents in the 2,4-difluorophenyl group is particularly noteworthy, as fluorine atoms can significantly influence the electronic and steric properties of a molecule. This modification often leads to more potent and selective pharmacological effects, making such compounds highly valuable in drug discovery.
The methoxypropan-2-amine moiety in the compound adds another layer of complexity, contributing to its versatility in chemical modifications. This group is commonly employed in the synthesis of various bioactive molecules due to its ability to participate in hydrogen bonding interactions and its role as a pharmacophore in many drug candidates. The combination of these structural elements makes 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine a promising candidate for further investigation.
Recent studies have highlighted the importance of fluorinated aromatic compounds in the development of novel therapeutics. For instance, research published in leading journals such as *Journal of Medicinal Chemistry* and *Bioorganic & Medicinal Chemistry* has demonstrated that compounds containing difluorophenyl groups exhibit significant activity against various biological targets. These studies have shown that the introduction of fluorine atoms can modulate the pharmacokinetic profile of drugs, leading to improved efficacy and reduced side effects.
The methoxypropan-2-amine component has also been extensively studied for its role in enhancing drug-like properties. This group is frequently found in active pharmaceutical ingredients (APIs) due to its ability to improve solubility, reduce lipophilicity, and enhance metabolic stability. The synergistic effect of combining these structural features in 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine suggests that it may possess unique pharmacological characteristics that could be exploited for therapeutic applications.
In the context of drug discovery, the synthesis and characterization of this compound are critical steps toward understanding its potential as a lead molecule. Advanced synthetic methodologies have been employed to construct the target molecule with high precision, ensuring that all structural features are accurately represented. Techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography have been utilized to confirm the identity and purity of the compound.
Furthermore, computational studies have played a pivotal role in predicting the biological activity of 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine. Molecular docking simulations have been used to evaluate how this compound interacts with various biological targets, providing insights into its potential mechanism of action. These simulations have helped researchers identify key binding pockets and optimize the structure for improved activity.
The potential applications of this compound extend across multiple therapeutic areas. For example, preliminary studies suggest that it may exhibit inhibitory activity against enzymes involved in inflammatory pathways. Given the growing interest in developing anti-inflammatory drugs with improved efficacy and safety profiles, this compound could represent a valuable addition to ongoing research efforts.
Additionally, the structural motifs present in 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine are reminiscent of known pharmacophores found in successful drugs used to treat neurological disorders. The combination of fluoro substituents and amine functionalities has been associated with enhanced penetration across the blood-brain barrier, making this compound a candidate for further exploration in neuropharmacology.
The synthesis of derivatives based on this core structure represents another avenue for expanding its therapeutic potential. By modifying either the 2,4-difluorophenyl or methoxypropan-2-amine moieties, researchers can generate a library of compounds with varying biological activities. High-throughput screening (HTS) techniques can then be employed to identify analogs with enhanced potency or selectivity against specific targets.
In conclusion, 1-(2,4-difluorophenyl)-3-methoxypropan-2-amine (CAS No. 1250409-48-3) is a structurally interesting compound with significant potential in pharmaceutical research. Its unique combination of fluoro substituents, amine functionalities, and other key structural elements makes it a promising candidate for further investigation. As research continues to uncover new applications for fluorinated aromatic compounds, this molecule is poised to play a crucial role in the development of novel therapeutics across multiple therapeutic areas.
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