Crystal and molecular structure of the psychotropic drug 2-(4-ethyl-2,5-dimethoxyphenyl)-1-methylethylamine (4-ethyl-2,5-dimethoxyamphetamine)

Abstract

The molecular conformation of the title compound was determined by X-ray diffraction analysis. The crystals are triclinic, a= 7·43(4), b= 16·73(4), c= 5·25(6)Å, α= 93° 30′, β= 87° 30′, γ= 96° 18′, P, Z= 2. The structure was solved by direct methods. The molecular conformation resembles that of 2,4,5-trimethoxyamphetamine and differs from other substituted phenethylamines including dopamine hydrochloride and norepinephrine hydrochloride. This is the first determination of a free base in this class of compounds.