1-(3-methoxyphenyl)ethanamine; N-(2-oxidanyl-5-pentyl-phenyl)methanamide

Systemtic Name: 1-(3-methoxyphenyl)ethanamine; N-(2-oxidanyl-5-pentyl-phenyl)methanamide Openeye Name: N-(2-hydroxy-5-pentyl-phenyl)formamide; 1-(3-methoxyphenyl)ethanamine CAS Name: N-(2-hydroxy-5-pentylphenyl)formamide; 1-(3-methoxyphenyl)ethanamine IUPAC Name: N-(2-hydroxy-5-pentylphenyl)formamide; 1-(3-methoxyphenyl)ethanamine Traditional Name: N-(5-amyl-2-hydroxy-phenyl)formamide; 1-(3-methoxyphenyl)ethylamine Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)O)NC=O.CC(C1=CC(=CC=C1)OC)N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)O)NC=O.CC(C1=CC(=CC=C1)OC)N

InChI

InChI=1S/C12H17NO2.C9H13NO/c1-2-3-4-5-10-6-7-12(15)11(8-10)13-9-14;1-7(10)8-4-3-5-9(6-8)11-2/h6-9,15H,2-5H2,1H3,(H,13,14);3-7H,10H2,1-2H3