2,3,4,5-Tetrahydro-1H-2-benzazepine is used in the Comparative molecular field analysis (CoMFA) of phenylethanolamine N-methyltransferase (PNMT) and the α2-adrenoceptor, as a guide to develop selective inhibitors of phenylethanolamine N-methyltransferase (PNMT) vs. the α2-adrenoceptor.