1-(3-hexylphenyl)-3-methyl-urea; phenylmethanamine

Systemtic Name: 1-(3-hexylphenyl)-3-methyl-urea; phenylmethanamine Openeye Name: 1-(3-hexylphenyl)-3-methyl-urea; phenylmethanamine CAS Name: 1-(3-hexylphenyl)-3-methylurea; phenylmethanamine IUPAC Name: 1-(3-hexylphenyl)-3-methylurea; phenylmethanamine Traditional Name: benzylamine; 1-(3-hexylphenyl)-3-methyl-urea Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)NC(=O)NC.C1=CC=C(C=C1)CN

InChI

InChI=1S/C14H22N2O.C7H9N/c1-3-4-5-6-8-12-9-7-10-13(11-12)16-14(17)15-2;8-6-7-4-2-1-3-5-7/h7,9-11H,3-6,8H2,1-2H3,(H2,15,16,17);1-5H,6,8H2