3-[2-[[2-(3-azanylpropyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]propan-1-amine

Systemtic Name: 3-[2-[[2-(3-azanylpropyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]propan-1-amine Openeye Name: 3-[2-[[2-(3-aminopropyl)-3-butyl-phenyl]methyl]-6-butyl-phenyl]propan-1-amine CAS Name: 3-[2-[[2-(3-aminopropyl)-3-butylphenyl]methyl]-6-butylphenyl]-1-propanamine IUPAC Name: 3-[2-[[2-(3-aminopropyl)-3-butylphenyl]methyl]-6-butylphenyl]propan-1-amine Traditional Name: 3-[2-[2-(3-aminopropyl)-3-butyl-benzyl]-6-butyl-phenyl]propylamine Formula: C27H42N2 MolecularWeight: 394.63578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1CCCN)CC2=C(C(=CC=C2)CCCC)CCCN

Isomeric SMILES

CCCCC1=CC=CC(=C1CCCN)CC2=C(C(=CC=C2)CCCC)CCCN

InChI

InChI=1S/C27H42N2/c1-3-5-11-22-13-7-15-24(26(22)17-9-19-28)21-25-16-8-14-23(12-6-4-2)27(25)18-10-20-29/h7-8,13-16H,3-6,9-12,17-21,28-29H2,1-2H3