CAS 1019621-44-3

3-[(3-Methylbutyl)amino]benzonitrile

Description:

3-[(3-Methylbutyl)amino]benzonitrile, identified by its CAS number 1019621-44-3, is an organic compound characterized by the presence of a benzonitrile moiety substituted with a 3-methylbutylamino group. This compound features a benzene ring with a cyano group (-CN) and an amino group (-NH-) attached to it, where the amino group is further substituted with a branched alkyl chain, specifically 3-methylbutyl. The presence of the cyano group contributes to its potential reactivity, while the amino group can participate in hydrogen bonding, influencing its solubility and interaction with other molecules. The branched alkyl chain may enhance lipophilicity, affecting its biological activity and pharmacokinetics. This compound may be of interest in medicinal chemistry and drug development due to its structural features, which could impart specific biological properties. However, detailed studies on its toxicity, stability, and specific applications would be necessary to fully understand its characteristics and potential uses.

Formula: C₁₂H₁₆N₂

InChI: InChI=1S/C12H16N2/c1-10(2)6-7-14-12-5-3-4-11(8-12)9-13/h3-5,8,10,14H,6-7H2,1-2H3

InChI key: InChIKey=QRSQWFZFXZQFSX-UHFFFAOYSA-N

SMILES: N(CCC(C)C)C1=CC(C#N)=CC=C1

Synonyms:

• 3-[(3-Methylbutyl)amino]benzonitrile
• Benzonitrile, 3-[(3-methylbutyl)amino]-