Cas no 1245808-00-7 ((4-Fluoro-3-isopropylphenyl)methanamine)

(4-Fluoro-3-isopropylphenyl)methanamine is a fluorinated aromatic amine featuring an isopropyl substituent at the meta position relative to the aminomethyl group. This compound is of interest in pharmaceutical and agrochemical research due to its structural versatility, which allows for further functionalization and incorporation into bioactive molecules. The fluorine atom enhances metabolic stability and influences electronic properties, while the isopropyl group contributes to steric effects, potentially improving selectivity in target interactions. Its well-defined synthesis and high purity make it suitable for use as a building block in medicinal chemistry and material science applications. The compound is typically handled under controlled conditions due to its amine functionality.
(4-Fluoro-3-isopropylphenyl)methanamine structure
1245808-00-7 structure
Product Name:(4-Fluoro-3-isopropylphenyl)methanamine
CAS No:1245808-00-7
MF:C10H14FN
MW:167.223266124725
CID:1216232
PubChem ID:40151792
Update Time:2025-05-24

(4-Fluoro-3-isopropylphenyl)methanamine Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Fluoro-3-isopropylphenyl)methanamine
    • (4-Fluoro-3-isopropylphenyl)methanamine
    • 4-fluoro-3-isopropylbenzylamine
    • DTXSID20653916
    • 1112179-28-8
    • A802325
    • 1-[4-Fluoro-3-(propan-2-yl)phenyl]methanamine
    • GS2624
    • (4-fluoranyl-3-propan-2-yl-phenyl)methanamine
    • SCHEMBL3694809
    • DB-011713
    • AKOS013201191
    • 1245808-00-7
    • (4-fluoro-3-propan-2-ylphenyl)methanamine
    • 4-fluoro-3-isopropyl-benzylamine
    • MDL: MFCD17976865
    • Inchi: 1S/C10H14FN/c1-7(2)9-5-8(6-12)3-4-10(9)11/h3-5,7H,6,12H2,1-2H3
    • InChI Key: AIYMDQHZXUSGRO-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(CN)C=C1C(C)C

Computed Properties

  • Exact Mass: 167.111027613g/mol
  • Monoisotopic Mass: 167.111027613g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 136
  • 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
  • Topological Polar Surface Area: 26?2

(4-Fluoro-3-isopropylphenyl)methanamine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
F121170-250mg
(4-Fluoro-3-isopropylphenyl)methanamine
1245808-00-7
250mg
$ 805.00 2022-06-05
TRC
F121170-500mg
(4-Fluoro-3-isopropylphenyl)methanamine
1245808-00-7
500mg
$ 1340.00 2022-06-05

(4-Fluoro-3-isopropylphenyl)methanamine Related Literature

Additional information on (4-Fluoro-3-isopropylphenyl)methanamine

Introduction to (4-Fluoro-3-isopropylphenyl)methanamine (CAS No. 1245808-00-7)

Compound (4-Fluoro-3-isopropylphenyl)methanamine (CAS No. 1245808-00-7) is a specialized organic molecule that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, characterized by its unique structural features, holds promise in various biochemical applications, particularly in the development of novel therapeutic agents. The presence of both a fluoro substituent and an isopropyl group on the phenyl ring imparts distinct electronic and steric properties, making it a valuable scaffold for further chemical modifications and biological evaluations.

The chemical structure of (4-Fluoro-3-isopropylphenyl)methanamine consists of a benzene ring substituted at the 4-position with a fluorine atom and at the 3-position with an isopropyl group. The amine functional group at the methanamine moiety further enhances its reactivity, allowing for diverse synthetic pathways. This compound's molecular formula can be represented as C11H14NF, reflecting its composition of carbon, hydrogen, nitrogen, and fluorine atoms.

In recent years, there has been growing interest in fluorinated aromatic compounds due to their enhanced metabolic stability, improved binding affinity to biological targets, and increased bioavailability. The incorporation of a fluoro atom into pharmaceutical molecules often leads to significant improvements in their pharmacokinetic profiles. For instance, fluoro compounds have been extensively studied for their role in enhancing the potency and selectivity of drugs targeting enzymes and receptors.

The isopropyl group in (4-Fluoro-3-isopropylphenyl)methanamine contributes to steric hindrance around the phenyl ring, which can influence the compound's interaction with biological targets. This steric effect is particularly important in drug design, where precise spatial orientation can determine the efficacy of a therapeutic agent. The combination of these structural features makes this compound a versatile intermediate for synthesizing more complex molecules with tailored biological activities.

Recent advancements in computational chemistry and molecular modeling have enabled researchers to predict the biological behavior of such compounds with greater accuracy. These tools have been instrumental in identifying potential lead candidates for drug development by simulating interactions with target proteins and enzymes. (4-Fluoro-3-isopropylphenyl)methanamine has been subjected to virtual screening processes to evaluate its potential as an inhibitor or modulator of various biological pathways.

The synthesis of (4-Fluoro-3-isopropylphenyl)methanamine involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include nucleophilic substitution reactions on halogenated precursors, followed by functional group transformations such as reduction or amination. Advanced techniques like palladium-catalyzed cross-coupling reactions have also been employed to construct the desired aromatic core efficiently.

In the realm of medicinal chemistry, this compound has been explored for its potential applications in treating various diseases. Preliminary studies suggest that derivatives of (4-Fluoro-3-isopropylphenyl)methanamine may exhibit inhibitory effects on certain enzymes implicated in inflammatory responses and cancer progression. The amine group provides a site for further derivatization, allowing chemists to modify the compound's properties to achieve specific pharmacological outcomes.

The role of fluorine atoms in medicinal chemistry extends beyond mere structural modification; they can also influence the electronic properties of molecules, thereby affecting their reactivity and interactions with biological systems. The presence of a fluorine atom at the 4-position of the phenyl ring in (4-Fluoro-3-isopropylphenyl)methanamine is expected to confer unique electronic characteristics that could be exploited in drug design.

Ongoing research continues to uncover new applications for this compound and its derivatives. Innovations in synthetic methodologies are enabling more efficient production scales, making it feasible to conduct large-scale biological evaluations. Collaborative efforts between academia and industry are fostering the development of novel therapeutics based on fluorinated aromatic compounds like (4-Fluoro-3-isopropylphenyl)methanamine.

The future prospects for this compound are promising, with potential applications ranging from anti-inflammatory agents to anticancer drugs. As our understanding of molecular interactions deepens, so does our ability to design compounds with enhanced therapeutic efficacy and reduced side effects. The integration of cutting-edge technologies such as high-throughput screening and structure-based drug design will likely accelerate the discovery process.

In conclusion, (4-Fluoro-3-isopropylphenyl)methanamine (CAS No. 1245808-00-7) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential biological activities. Its synthesis, characterized by precise functional group modifications, underscores the importance of fluorinated aromatic compounds in modern drug development. As research progresses, this compound is poised to contribute to the discovery of novel therapeutic agents that address unmet medical needs.

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