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

Systemtic Name: N-[(3-bromanyl-4,5-diethoxy-phenyl)methyl]adamantan-2-amine Openeye Name: N-[(3-bromo-4,5-diethoxy-phenyl)methyl]adamantan-2-amine CAS Name: N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2-adamantanamine IUPAC Name: N-[(3-bromo-4,5-diethoxyphenyl)methyl]adamantan-2-amine Traditional Name: 2-adamantyl-(3-bromo-4,5-diethoxy-benzyl)amine Formula: C21H30BrNO2 MolecularWeight: 408.3724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC

InChI

InChI=1S/C21H30BrNO2/c1-3-24-19-11-15(10-18(22)21(19)25-4-2)12-23-20-16-6-13-5-14(8-16)9-17(20)7-13/h10-11,13-14,16-17,20,23H,3-9,12H2,1-2H3