Cas no 1019538-79-4 ((cyclopropylmethyl)[(4-fluorophenyl)methyl]amine)

(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine is a synthetic organic compound with potential applications in medicinal chemistry. It features a cyclopropylmethyl group and a 4-fluorophenylmethylamine core, offering unique electronic properties. This compound is valued for its stability and reactivity, making it a versatile building block in chemical synthesis.
(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine structure
1019538-79-4 structure
Product Name:(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine
CAS No:1019538-79-4
MF:C11H14FN
MW:179.233966350555
CID:858433
PubChem ID:28430451
Update Time:2025-07-27

(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine Chemical and Physical Properties

Names and Identifiers

    • N-(CyclopropylMethyl)-4-fluoro-benzylaMine
    • N-(Cyclopropylmethyl)-5-fluoro-benzylamine
    • 1-Cyclopropyl-N-[(4-fluorophenyl)methyl]methanamine
    • (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine
    • 1-Cyclopropyl-N-(4-fluorobenzyl)methanamine
    • EN300-78455
    • A1-06014
    • Z334882552
    • CS-0439865
    • C77710
    • AKOS000228004
    • 1019538-79-4
    • F2158-1970
    • Inchi: 1S/C11H14FN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2
    • InChI Key: JMKBYKGNJPSQPJ-UHFFFAOYSA-N
    • SMILES: FC1C=CC(=CC=1)CNCC1CC1

Computed Properties

  • Exact Mass: 179.111027613g/mol
  • Monoisotopic Mass: 179.111027613g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 148
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 247.5±15.0 °C at 760 mmHg
  • Flash Point: 103.5±20.4 °C
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine Security Information

(cyclopropylmethyl)[(4-fluorophenyl)methyl]amine Pricemore >>

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Additional information on (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine

Professional Introduction to Compound with CAS No. 1019538-79-4 and Product Name: (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine

The compound with the CAS number 1019538-79-4 and the product name (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine represents a significant advancement in the field of pharmaceutical chemistry and medicinal biology. This compound, characterized by its unique structural motifs, has garnered considerable attention due to its potential applications in drug discovery and therapeutic development. The presence of both cyclopropyl and fluoro-substituted aromatic groups in its molecular framework imparts distinct physicochemical properties, making it a promising candidate for further investigation.

Recent studies have highlighted the importance of structural diversity in the design of novel bioactive molecules. The (cyclopropylmethyl) moiety, known for its favorable pharmacokinetic profile, contributes to the compound's metabolic stability and bioavailability. Concurrently, the (4-fluorophenyl)methyl group introduces electronic and steric effects that can modulate binding interactions with biological targets. This combination has been strategically explored in the development of small-molecule inhibitors targeting various disease pathways.

In the realm of medicinal chemistry, fluorine substitution is a well-established strategy to enhance drug efficacy and selectivity. The fluorine atom at the para position of the phenyl ring in (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine exerts a significant influence on the compound's binding affinity and metabolic resistance. This feature has been leveraged in recent research to develop potent and selective kinase inhibitors, which are crucial for treating cancers and inflammatory diseases. The compound's ability to interact with specific amino acid residues in protein targets is further enhanced by the rigidity provided by the cyclopropyl ring.

Advances in computational chemistry have enabled more precise modeling of molecular interactions, allowing researchers to predict the behavior of compounds like (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine before experimental validation. Molecular docking studies have revealed that this compound exhibits high binding affinity for certain enzyme families, including proteases and phosphodiesterases. These enzymes are implicated in a wide range of physiological processes, making them attractive targets for therapeutic intervention. The structural features of this compound have been optimized to maximize interactions with key binding pockets, thereby improving its pharmacological profile.

The synthesis of (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine involves multi-step organic transformations that highlight the ingenuity of synthetic chemists. Key steps include nucleophilic substitution reactions, cross-coupling processes, and protection-deprotection strategies to achieve regioselectivity and functional group compatibility. The use of advanced catalytic systems has streamlined these synthetic routes, reducing reaction times and improving yields. Such advancements are critical for transitioning promising candidates into viable drug candidates.

Preclinical studies have begun to explore the pharmacological properties of (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine, focusing on its efficacy and safety profiles. Initial findings suggest that this compound exhibits potent activity against selected disease models without significant off-target effects. These results are encouraging and warrant further investigation into its potential as a therapeutic agent. The compound's favorable pharmacokinetic properties also make it an attractive candidate for oral administration, which would enhance patient compliance.

The integration of machine learning and artificial intelligence into drug discovery has accelerated the identification of novel molecular scaffolds like (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine. Predictive models have been developed to assess the likelihood of success based on structural features alone, allowing researchers to prioritize compounds for experimental testing. This approach has reduced attrition rates in early-stage drug development programs by eliminating less promising candidates early on.

Future directions for research on (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine include exploring its mechanism of action in greater detail and investigating its potential as a lead compound for structure-based drug design. Collaborative efforts between academic institutions and pharmaceutical companies are essential to translate these findings into clinical applications that benefit patients worldwide. The compound exemplifies how strategic molecular design can yield innovative solutions to unmet medical needs.

In conclusion, (cyclopropylmethyl)[(4-fluorophenyl)methyl]amine (CAS No. 1019538-79-4) represents a compelling example of how structural complexity can be leveraged to develop novel bioactive molecules with therapeutic potential. Its unique combination of cyclopropyl and fluoro-substituted aromatic groups makes it a valuable asset in ongoing drug discovery efforts. As research continues to uncover new applications for this compound, it is poised to play an important role in addressing some of today's most pressing medical challenges.

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