(3S,5R)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(5-bromo-2-methoxy-phenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: (5-bromo-2-methoxy-benzyl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]amine Formula: C20H28BrNO MolecularWeight: 378.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=C(C=CC(=C4)Br)OC)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=C(C=CC(=C4)Br)OC)C

InChI

InChI=1S/C20H28BrNO/c1-18-7-14-8-19(2,11-18)13-20(9-14,12-18)22-10-15-6-16(21)4-5-17(15)23-3/h4-6,14,22H,7-13H2,1-3H3/t14?,18-,19+,20?