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

Systemtic Name: N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]adamantan-2-amine hydrochloride Openeye Name: N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]adamantan-2-amine hydrochloride CAS Name: N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-adamantanamine hydrochloride IUPAC Name: N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine hydrochloride Traditional Name: 2-adamantyl-[4-(4-fluorobenzyl)oxy-3-methoxy-benzyl]amine hydrochloride Formula: C25H31ClFNO2 MolecularWeight: 431.970543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2C3CC4CC(C3)CC2C4)OCC5=CC=C(C=C5)F.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2C3CC4CC(C3)CC2C4)OCC5=CC=C(C=C5)F.Cl

InChI

InChI=1S/C25H30FNO2.ClH/c1-28-24-13-17(4-7-23(24)29-15-16-2-5-22(26)6-3-16)14-27-25-20-9-18-8-19(11-20)12-21(25)10-18;/h2-7,13,18-21,25,27H,8-12,14-15H2,1H3;1H