Cas no 90389-88-1 ((3-fluorophenyl)methyl(pentyl)amine)

(3-Fluorophenyl)methyl(pentyl)amine is a fluorinated amine derivative characterized by its unique structural features, including a 3-fluorophenyl group and a pentyl chain. This compound is of interest in synthetic and medicinal chemistry due to its potential as a building block for pharmacologically active molecules. The fluorine substitution enhances electronic properties, potentially improving binding affinity or metabolic stability in drug design. Its amine functionality allows for further derivatization, making it a versatile intermediate. The compound's well-defined structure and purity make it suitable for research applications, particularly in the development of novel bioactive compounds. Proper handling is required due to its reactive amine group.
(3-fluorophenyl)methyl(pentyl)amine structure
90389-88-1 structure
Product Name:(3-fluorophenyl)methyl(pentyl)amine
CAS No:90389-88-1
MF:C12H18FN
MW:195.276426792145
CID:1950668
PubChem ID:457582
Update Time:2025-05-20

(3-fluorophenyl)methyl(pentyl)amine Chemical and Physical Properties

Names and Identifiers

    • N-(3-Fluorobenzyl)-1-pentanamine
    • Benzenemethanamine, 3-fluoro-N-pentyl-
    • (3-fluorophenyl)methyl(pentyl)amine
    • CHEMBL1182831
    • CS-0297615
    • 90389-88-1
    • N-[(3-fluorophenyl)methyl]pentan-1-amine
    • [(3-FLUOROPHENYL)METHYL](PENTYL)AMINE
    • AKOS000231264
    • EN300-163053
    • DTXSID90238118
    • n-(3-Fluorobenzyl)pentan-1-amine
    • DTXCID10160609
    • MDL: MFCD11141097
    • Inchi: 1S/C12H18FN/c1-2-3-4-8-14-10-11-6-5-7-12(13)9-11/h5-7,9,14H,2-4,8,10H2,1H3
    • InChI Key: BNRDILKFRANWCB-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)CNCCCCC

Computed Properties

  • Exact Mass: 195.142
  • Monoisotopic Mass: 195.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 138
  • 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: 3.5
  • Topological Polar Surface Area: 12A^2

Experimental Properties

  • Density: 0.97
  • Boiling Point: 251°C at 760 mmHg
  • Flash Point: 105.6°C
  • Refractive Index: 1.487

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Additional information on (3-fluorophenyl)methyl(pentyl)amine

(3-Fluorophenyl)methyl(pentyl)amine: A Comprehensive Overview

(3-Fluorophenyl)methyl(pentyl)amine, identified by the CAS number 90389-88-1, is a compound of significant interest in various fields of chemistry and materials science. This compound, with its unique structure and properties, has garnered attention due to its potential applications in drug design, polymer synthesis, and advanced materials. The name itself highlights its structural components: a pentyl group attached to an amine functional group, with a fluorinated phenyl ring providing additional chemical complexity.

The chemical structure of (3-fluorophenyl)methyl(pentyl)amine consists of a pentyl chain (C5H11) linked to an amine group (-NH-) and a fluorinated phenyl ring. The fluorine atom at the 3-position of the phenyl ring introduces electronic effects that can influence the compound's reactivity and stability. This structural feature makes it a valuable building block in organic synthesis, particularly in the creation of bioactive molecules and functional polymers.

Recent studies have explored the role of fluorinated amines like this compound in drug discovery. Fluorine substitution is known to enhance the pharmacokinetic properties of molecules, such as increasing lipophilicity and improving metabolic stability. These attributes make (3-fluorophenyl)methyl(pentyl)amine a promising candidate for use in medicinal chemistry, where fine-tuning molecular properties is crucial for developing effective therapeutic agents.

In terms of synthesis, this compound can be prepared through various methods, including nucleophilic substitution reactions or coupling reactions involving appropriate precursors. The choice of synthetic pathway depends on the availability of starting materials and the desired purity of the final product. Researchers have also investigated green chemistry approaches to synthesize this compound, aiming to minimize environmental impact while maintaining high yields.

The physical properties of (3-fluorophenyl)methyl(pentyl)amine are influenced by its molecular weight and functional groups. It exhibits moderate solubility in common organic solvents and has a melting point that is typical for compounds with similar structures. Its thermal stability has been studied under various conditions, making it suitable for use in high-temperature applications or reactions requiring robustness against thermal degradation.

Applications of this compound extend beyond pharmaceuticals. In materials science, it has been utilized as a precursor for synthesizing advanced polymers with tailored mechanical and electronic properties. For instance, incorporating this amine into polymer backbones can enhance their conductivity or mechanical strength, making them suitable for use in electronics or composite materials.

Moreover, recent advancements in computational chemistry have enabled detailed modeling of (3-fluorophenyl)methyl(pentyl)amine's interactions within biological systems. Molecular docking studies have revealed potential binding affinities with key proteins, suggesting its role as a lead compound in drug development efforts targeting specific diseases such as cancer or neurodegenerative disorders.

In conclusion, (3-fluorophenyl)methyl(pentyl)amine, CAS No. 90389-88-1, stands out as a versatile compound with diverse applications across multiple disciplines. Its unique structure, combined with favorable chemical properties and recent research findings, positions it as an important tool in modern chemistry and materials science.

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