1-methyl-3-(3-pentylphenyl)urea; 2-phenylethanamine

Systemtic Name: 1-methyl-3-(3-pentylphenyl)urea; 2-phenylethanamine Openeye Name: 1-methyl-3-(3-pentylphenyl)urea; 2-phenylethanamine CAS Name: 1-methyl-3-(3-pentylphenyl)urea; 2-phenylethanamine IUPAC Name: 1-methyl-3-(3-pentylphenyl)urea; 2-phenylethanamine Traditional Name: 1-(3-amylphenyl)-3-methyl-urea; phenethylamine Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C13H20N2O.C8H11N/c1-3-4-5-7-11-8-6-9-12(10-11)15-13(16)14-2;9-7-6-8-4-2-1-3-5-8/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16);1-5H,6-7,9H2