Structure-activity studies on hallucinogenic phenylalkylamines using Fujita-Ban approach.

The nature of the substituents and their contribution at different ring positions to the overall hallucinogenic activity in a series of phenylalkylamines (amphetamines) are studied by using Fujita-Ban additive model. The calculated activity contributions of substituents and of parent structure, respectively, are then utilized to predict the most potent compound in the series and to remove the uncertainties in the observed activity of some phenylalkylamines. The most potent compound predicted is 2,6-dimethoxy-4-bromophenylisopropylamine.