N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-2-amine

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]adamantan-2-amine Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyl]adamantan-2-amine CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-adamantanamine IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]adamantan-2-amine Traditional Name: 2-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)CNC2C3CC4CC(C3)CC2C4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OC

InChI

InChI=1S/C19H26BrNO2/c1-22-17-9-13(8-16(20)19(17)23-2)10-21-18-14-4-11-3-12(6-14)7-15(18)5-11/h8-9,11-12,14-15,18,21H,3-7,10H2,1-2H3