Cas no 1042511-87-4 ((3-fluorophenyl)methyl(hexyl)amine)

(3-Fluorophenyl)methyl(hexyl)amine is a fluorinated amine derivative with potential applications in pharmaceutical and agrochemical research. The incorporation of a fluorine atom at the meta position of the phenyl ring enhances its electronic properties, potentially improving binding affinity or metabolic stability in bioactive compounds. The hexyl chain contributes to lipophilicity, which may influence solubility and membrane permeability. This compound serves as a versatile intermediate for the synthesis of more complex molecules, particularly in medicinal chemistry where fluorinated analogs are often explored for their unique physicochemical and biological properties. Its structural features make it a valuable building block for drug discovery and material science applications.
(3-fluorophenyl)methyl(hexyl)amine structure
1042511-87-4 structure
Product Name:(3-fluorophenyl)methyl(hexyl)amine
CAS No:1042511-87-4
MF:C13H20FN
MW:209.303007125854
CID:1141969
PubChem ID:29278620
Update Time:2025-10-30

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

Names and Identifiers

    • N-(3-Fluorobenzyl)-1-hexanamine
    • (3-fluorophenyl)methyl(hexyl)amine
    • EN300-168561
    • N-[(3-fluorophenyl)methyl]hexan-1-amine
    • 3-Fluoro-N-n-hexylbenzylamine
    • AKOS008989159
    • [(3-FLUOROPHENYL)METHYL](HEXYL)AMINE
    • 1042511-87-4
    • 3-Fluoro-N-n-hexylbenzylaMine, 97%
    • MDL: MFCD11120504
    • Inchi: 1S/C13H20FN/c1-2-3-4-5-9-15-11-12-7-6-8-13(14)10-12/h6-8,10,15H,2-5,9,11H2,1H3
    • InChI Key: QCNCLXYBNIXJCN-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)CNCCCCCC

Computed Properties

  • Exact Mass: 209.157977804g/mol
  • Monoisotopic Mass: 209.157977804g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 150
  • 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: 4.1
  • Topological Polar Surface Area: 12?2

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

Compound CAS No. 1042511-87-4: (3-Fluorophenyl)methyl(hexyl)amine

The compound (3-fluorophenyl)methyl(hexyl)amine, identified by the CAS number 1042511-87-4, is a significant molecule in the field of organic chemistry. This compound is characterized by its unique structure, which combines a hexylamine group with a 3-fluorophenylmethyl moiety. The presence of the fluorine atom in the aromatic ring introduces interesting electronic properties, making this compound a subject of interest in various research areas.

Recent studies have highlighted the potential of (3-fluorophenyl)methyl(hexyl)amine in drug discovery and materials science. Its ability to form stable complexes with metal ions has been explored in the context of catalysis and coordination chemistry. For instance, researchers have demonstrated that this compound can act as a versatile ligand in transition metal complexes, facilitating efficient catalytic cycles in organic transformations.

In terms of synthesis, (3-fluorophenyl)methyl(hexyl)amine can be prepared through a variety of methods, including nucleophilic substitution and coupling reactions. One notable approach involves the reaction of 3-fluorobenzaldehyde with hexylamine in the presence of a reducing agent, such as sodium cyanoborohydride. This method has been optimized to achieve high yields and purity, making it suitable for large-scale production.

The application of (3-fluorophenyl)methyl(hexyl)amine extends beyond traditional chemical synthesis. Its role as an intermediate in the production of pharmaceutical agents has been well-documented. For example, it has been used as a building block in the synthesis of bioactive molecules targeting various diseases, including cancer and neurodegenerative disorders.

Moreover, the compound has shown promise in materials science, particularly in the development of novel polymers and coatings. Its ability to undergo polymerization under specific conditions has led to the creation of materials with enhanced mechanical and thermal properties. This makes it a valuable component in the formulation of advanced materials for industrial applications.

In recent years, there has been growing interest in understanding the environmental impact and biodegradability of (3-fluorophenyl)methyl(hexyl)amine. Studies have indicated that under certain conditions, this compound can undergo microbial degradation, reducing its persistence in the environment. This information is crucial for assessing its safety and sustainability in industrial processes.

The structural versatility of (3-fluorophenyl)methyl(hexyl)amine also makes it an attractive candidate for use in sensor technology. Its ability to interact with specific analytes has been exploited in the design of chemical sensors for detecting harmful substances in environmental monitoring applications.

In conclusion, (3-fluorophenyl)methyl(hexyl)amine, CAS No. 1042511-87-4, is a multifaceted compound with applications spanning drug discovery, materials science, and environmental technology. Its unique chemical properties and potential for further functionalization continue to drive innovative research across various disciplines.

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