1-(1-adamantyl)-N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]ethanamine hydrochloride

Systemtic Name: 1-(1-adamantyl)-N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]ethanamine hydrochloride Openeye Name: 1-(1-adamantyl)-N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]ethanamine hydrochloride CAS Name: 1-(1-adamantyl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]ethanamine hydrochloride IUPAC Name: 1-(1-adamantyl)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]ethanamine hydrochloride Traditional Name: 1-(1-adamantyl)ethyl-(3-bromo-4,5-dimethoxy-benzyl)amine hydrochloride Formula: C21H31BrClNO2 MolecularWeight: 444.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OC)OC.Cl

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NCC4=CC(=C(C(=C4)Br)OC)OC.Cl

InChI

InChI=1S/C21H30BrNO2.ClH/c1-13(21-9-14-4-15(10-21)6-16(5-14)11-21)23-12-17-7-18(22)20(25-3)19(8-17)24-2;/h7-8,13-16,23H,4-6,9-12H2,1-3H3;1H