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

Systemtic Name: (3S,5R)-N-[(3-ethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: (3S,5R)-N-[(3-ethoxyphenyl)methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: (3S,5R)-N-[(3-ethoxyphenyl)methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: (3S,5R)-N-[(3-ethoxyphenyl)methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(3-ethoxybenzyl)amine Formula: C21H31NO MolecularWeight: 313.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CNC23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CNC23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C21H31NO/c1-4-23-18-7-5-6-16(8-18)12-22-21-11-17-9-19(2,14-21)13-20(3,10-17)15-21/h5-8,17,22H,4,9-15H2,1-3H3/t17?,19-,20+,21?