CAS 1240581-71-8

1-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl]hexahydro-1H-1,4-diazepine

Description:

1-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl]hexahydro-1H-1,4-diazepine is a chemical compound characterized by its complex structure, which includes a hexahydro-1H-1,4-diazepine ring fused with a phenyl group that is substituted with a chloro and trifluoromethyl group. The presence of the chloro group enhances the compound's reactivity and potential biological activity, while the trifluoromethyl group contributes to its lipophilicity and may influence its pharmacokinetic properties. This compound is likely to exhibit significant interactions with biological targets due to its structural features, making it of interest in medicinal chemistry and drug development. The hexahydro-1H-1,4-diazepine moiety suggests potential applications in the development of anxiolytic or sedative agents, as diazepines are commonly associated with such effects. Overall, the unique combination of functional groups and ring structures in this compound may lead to diverse applications in pharmaceuticals and agrochemicals, warranting further investigation into its properties and potential uses.

Formula: C₁₃H₁₆ClF₃N₂

InChI: InChI=1S/C13H16ClF3N2/c14-12-3-2-10(8-11(12)13(15,16)17)9-19-6-1-4-18-5-7-19/h2-3,8,18H,1,4-7,9H2

InChI key: InChIKey=WHTONSMIYGWKEO-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(CN2CCCNCC2)=CC=C1Cl

Synonyms:

• 1-[[4-Chloro-3-(trifluoromethyl)phenyl]methyl]hexahydro-1H-1,4-diazepine
• 1H-1,4-Diazepine, 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]hexahydro-