3-(2-azanylethyl)aniline; N-(5-butyl-2-phenylmethoxy-phenyl)methanamide

Systemtic Name: 3-(2-azanylethyl)aniline; N-(5-butyl-2-phenylmethoxy-phenyl)methanamide Openeye Name: 3-(2-aminoethyl)aniline; N-(2-benzyloxy-5-butyl-phenyl)formamide CAS Name: 3-(2-aminoethyl)aniline; N-(5-butyl-2-phenylmethoxyphenyl)formamide IUPAC Name: 3-(2-aminoethyl)aniline; N-(5-butyl-2-phenylmethoxyphenyl)formamide Traditional Name: [3-(2-aminoethyl)phenyl]amine; N-(2-benzoxy-5-butyl-phenyl)formamide Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC=O.C1=CC(=CC(=C1)N)CCN

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)NC=O.C1=CC(=CC(=C1)N)CCN

InChI

InChI=1S/C18H21NO2.C8H12N2/c1-2-3-7-15-10-11-18(17(12-15)19-14-20)21-13-16-8-5-4-6-9-16;9-5-4-7-2-1-3-8(10)6-7/h4-6,8-12,14H,2-3,7,13H2,1H3,(H,19,20);1-3,6H,4-5,9-10H2