(1S,2S)-N2-[(4-methoxyphenyl)methyl]-N1-(phenylmethyl)cyclohexane-1,2-diamine

Systemtic Name: (1S,2S)-N2-[(4-methoxyphenyl)methyl]-N1-(phenylmethyl)cyclohexane-1,2-diamine Openeye Name: (1S,2S)-N1-benzyl-N2-[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine CAS Name: (1S,2S)-N2-[(4-methoxyphenyl)methyl]-N1-(phenylmethyl)cyclohexane-1,2-diamine IUPAC Name: (1S,2S)-1-N-benzyl-2-N-[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine Traditional Name: benzyl-[(1S,2S)-2-(p-anisylamino)cyclohexyl]amine Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2CCCCC2NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN[C@H]2CCCC[C@@H]2NCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-24-19-13-11-18(12-14-19)16-23-21-10-6-5-9-20(21)22-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,20-23H,5-6,9-10,15-16H2,1H3/t20-,21-/m0/s1