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

Systemtic Name: 1-(3-butylphenyl)-3-methyl-urea; 2-phenylethanamine Openeye Name: 1-(3-butylphenyl)-3-methyl-urea; 2-phenylethanamine CAS Name: 1-(3-butylphenyl)-3-methylurea; 2-phenylethanamine IUPAC Name: 1-(3-butylphenyl)-3-methylurea; 2-phenylethanamine Traditional Name: 1-(3-butylphenyl)-3-methyl-urea; phenethylamine Formula: C20H29N3O MolecularWeight: 327.46376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C12H18N2O.C8H11N/c1-3-4-6-10-7-5-8-11(9-10)14-12(15)13-2;9-7-6-8-4-2-1-3-5-8/h5,7-9H,3-4,6H2,1-2H3,(H2,13,14,15);1-5H,6-7,9H2