N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-methoxy-phenyl)methyl]adamantan-1-amine Openeye Name: N-[(3-bromo-5-ethoxy-4-methoxy-phenyl)methyl]adamantan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-adamantanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-(3-bromo-5-ethoxy-4-methoxy-benzyl)amine Formula: C20H28BrNO2 MolecularWeight: 394.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OC

InChI

InChI=1S/C20H28BrNO2/c1-3-24-18-8-16(7-17(21)19(18)23-2)12-22-20-9-13-4-14(10-20)6-15(5-13)11-20/h7-8,13-15,22H,3-6,9-12H2,1-2H3