N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]octan-1-amine hydrochloride

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]octan-1-amine hydrochloride Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]octan-1-amine hydrochloride CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-octanamine hydrochloride IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]octan-1-amine hydrochloride Traditional Name: (2-benzoxy-5-bromo-benzyl)-octyl-amine hydrochloride Formula: C22H31BrClNO MolecularWeight: 440.84464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.Cl

Isomeric SMILES

CCCCCCCCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.Cl

InChI

InChI=1S/C22H30BrNO.ClH/c1-2-3-4-5-6-10-15-24-17-20-16-21(23)13-14-22(20)25-18-19-11-8-7-9-12-19;/h7-9,11-14,16,24H,2-6,10,15,17-18H2,1H3;1H