(3S,5R)-N-[(4-ethylphenyl)methyl]-3,5-dimethyl-adamantan-1-amine

Systemtic Name: (3S,5R)-N-[(4-ethylphenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(4-ethylphenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(4-ethylphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(4-ethylphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(4-ethylbenzyl)amine Formula: C21H31N MolecularWeight: 297.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C21H31N/c1-4-16-5-7-17(8-6-16)12-22-21-11-18-9-19(2,14-21)13-20(3,10-18)15-21/h5-8,18,22H,4,9-15H2,1-3H3/t18?,19-,20+,21?