N-ethylethanamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline

Systemtic Name: N-ethylethanamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline Openeye Name: N-ethylethanamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline CAS Name: N-ethylethanamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline IUPAC Name: N-ethylethanamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline Traditional Name: diethylamine; 2-ethyl-4-[4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-isoquinoline Formula: C22H29F3N2O MolecularWeight: 394.47367

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CCN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCNCC.CCN1CC(C2=CC=CC=C2C1)OC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3NO.C4H11N/c1-2-22-11-13-5-3-4-6-16(13)17(12-22)23-15-9-7-14(8-10-15)18(19,20)21;1-3-5-4-2/h3-10,17H,2,11-12H2,1H3;5H,3-4H2,1-2H3