CAS 119802-68-5

3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol

Description:

3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol, with the CAS number 119802-68-5, is a chemical compound characterized by its complex structure, which includes a chlorinated aromatic ring and an amino alcohol moiety. This compound features a chloro substituent at the meta position relative to a hydroxymethyl group on a benzene ring, contributing to its reactivity and potential biological activity. The presence of a tert-butyl group attached to the amino group enhances its lipophilicity, which may influence its interaction with biological membranes and receptors. The compound's functional groups suggest potential applications in pharmaceuticals or agrochemicals, where such structural motifs are often associated with bioactivity. Additionally, the presence of both a chlorine atom and a hydroxymethyl group may impart unique properties, such as increased solubility in organic solvents and potential for hydrogen bonding. Overall, this compound's characteristics make it of interest for further study in medicinal chemistry and related fields.

Formula: C₁₃H₂₀ClNO

InChI: InChI=1/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3

SMILES: CC(C(c1cccc(c1)Cl)O)NC(C)(C)C

Synonyms:

• Bupropion metabolite A
• 2-(Tert-Butylamino)-1-(3-Chlorophenyl)Propan-1-Ol

2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

CAS: 119802-68-5

Formula: C₁₃H₁₈ClNO

Molecular weight: 239.7

Ref: ST-EA-CP-B21083