CAS 1076200-05-9

4-[1-(4-Chlorophenyl)-4-(dimethylamino)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Description:

4-[1-(4-Chlorophenyl)-4-(dimethylamino)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile, with CAS number 1076200-05-9, is a synthetic organic compound characterized by its complex molecular structure, which includes a chlorophenyl group, a dimethylamino group, and a hydroxymethyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential biological activity. The presence of the hydroxymethyl and hydroxybutyl functional groups suggests it may engage in hydrogen bonding, influencing its solubility and reactivity. The chlorophenyl moiety can enhance lipophilicity, potentially affecting its pharmacokinetics if used in medicinal chemistry. Additionally, the dimethylamino group may impart basicity, which can influence the compound's interaction with biological targets. Overall, this compound's unique structural features may render it of interest in pharmaceutical research, particularly in the development of therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical determination or literature reference for precise characterization.

Formula: C₂₀H₂₃ClN₂O₂

InChI: InChI=1S/C20H23ClN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3

InChI key: InChIKey=ARXRIJOUIXNUGC-UHFFFAOYSA-N

SMILES: C(CCCN(C)C)(O)(C1=C(CO)C=C(C#N)C=C1)C2=CC=C(Cl)C=C2

Synonyms:

• Benzonitrile, 4-[1-(4-chlorophenyl)-4-(dimethylamino)-1-hydroxybutyl]-3-(hydroxymethyl)-
• 4-[1-(4-Chlorophenyl)-4-(dimethylamino)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile