CAS 869943-96-4

5-Fluoro-2-(hexahydro-1H-azepin-1-yl)benzenamine

Description:

5-Fluoro-2-(hexahydro-1H-azepin-1-yl)benzenamine is a chemical compound characterized by its unique structure, which includes a fluorobenzene moiety and a hexahydro-1H-azepin group. The presence of the fluorine atom typically enhances the compound's lipophilicity and may influence its biological activity. The hexahydro-1H-azepin ring contributes to the compound's cyclic structure, which can affect its conformational flexibility and interactions with biological targets. This compound is likely to exhibit properties typical of amines, such as basicity, and may participate in hydrogen bonding due to the presence of the amine functional group. Its potential applications could span various fields, including medicinal chemistry, where it may serve as a lead compound for drug development, particularly in targeting specific receptors or enzymes. The compound's stability, solubility, and reactivity would depend on its specific functional groups and overall molecular structure, making it a subject of interest for further research in chemical and pharmaceutical sciences.

Formula: C₁₂H₁₇FN₂

InChI: InChI=1S/C12H17FN2/c13-10-5-6-12(11(14)9-10)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,14H2

InChI key: InChIKey=BRZSYCIGSXBGJG-UHFFFAOYSA-N

SMILES: NC1=C(N2CCCCCC2)C=CC(F)=C1

Synonyms:

• Benzenamine, 5-fluoro-2-(hexahydro-1H-azepin-1-yl)-
• 2-(Azepan-1-yl)-5-fluoroaniline
• 2-(1-Azepanyl)-5-fluoroaniline
• 5-Fluoro-2-(hexahydro-1H-azepin-1-yl)benzenamine