N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]adamantan-1-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-adamantanamine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(3-bromo-4,5-dimethoxy-benzyl)amine Formula: C19H26BrNO2 MolecularWeight: 380.31924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC

InChI

InChI=1S/C19H26BrNO2/c1-22-17-7-15(6-16(20)18(17)23-2)11-21-19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,12-14,21H,3-5,8-11H2,1-2H3