CAS 1384435-40-8

Benzenemethanamine, 5-chloro-2-(difluoromethoxy)-α-methyl-, hydrochloride (1:1), (αS)-

Description:

Benzenemethanamine, 5-chloro-2-(difluoromethoxy)-α-methyl-, hydrochloride (1:1), (αS)- is a chemical compound characterized by its complex structure, which includes a benzene ring, an amine group, and a chloro substituent, along with a difluoromethoxy group. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in water and facilitates its use in various applications, particularly in pharmaceutical contexts. The presence of the α-methyl group indicates a chiral center, contributing to its stereochemistry, specifically the (αS)- configuration. This stereochemistry can influence the compound's biological activity and interactions with biological targets. The difluoromethoxy group adds to the compound's lipophilicity and may affect its pharmacokinetic properties. Overall, this compound's unique combination of functional groups and stereochemistry makes it of interest in medicinal chemistry and drug development, where it may exhibit specific therapeutic effects or serve as a precursor for further chemical modifications.

Formula: C₉H₁₀ClF₂NO·ClH

InChI: InChI=1S/C9H10ClF2NO.ClH/c1-5(13)7-4-6(10)2-3-8(7)14-9(11)12;/h2-5,9H,13H2,1H3;1H/t5-;/m0./s1

InChI key: InChIKey=ZCPBUTRVGCQISG-JEDNCBNOSA-N

SMILES: O(C(F)F)C1=C([C@H](C)N)C=C(Cl)C=C1.Cl

Synonyms:

• Benzenemethanamine, 5-chloro-2-(difluoromethoxy)-α-methyl-, hydrochloride (1:1), (αS)-

(1S)-1-[5-Chloro-2-(difluoromethoxy)phenyl]ethan-1-amine hydrochloride

CAS: 1384435-40-8

Versatile small molecule scaffold

Formula: C₉H₁₁Cl₂F₂NO

Purity: Min. 95%

Molecular weight: 258.09 g/mol

Ref: 3D-JFC43540