N-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]adamantan-1-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]adamantan-1-amine hydrochloride Openeye Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]adamantan-1-amine hydrochloride CAS Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-adamantanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-1-amine hydrochloride Traditional Name: 1-adamantyl-[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]amine hydrochloride Formula: C25H30BrClFNO2 MolecularWeight: 510.866603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5F.Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5F.Cl

InChI

InChI=1S/C25H29BrFNO2.ClH/c1-29-23-10-19(9-21(26)24(23)30-15-20-4-2-3-5-22(20)27)14-28-25-11-16-6-17(12-25)8-18(7-16)13-25;/h2-5,9-10,16-18,28H,6-8,11-15H2,1H3;1H