N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Openeye Name: N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine CAS Name: N-[(3,4,5-trimethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: N-[(3,4,5-trimethoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(3,4,5-trimethoxybenzyl)amine Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H29NO3/c1-22-17-7-16(8-18(23-2)19(17)24-3)12-21-20-9-13-4-14(10-20)6-15(5-13)11-20/h7-8,13-15,21H,4-6,9-12H2,1-3H3