2-(4-butylphenyl)ethanamine; 1-methyl-3-(2-oxidanyl-5-pentyl-phenyl)urea

Systemtic Name: 2-(4-butylphenyl)ethanamine; 1-methyl-3-(2-oxidanyl-5-pentyl-phenyl)urea Openeye Name: 2-(4-butylphenyl)ethanamine; 1-(2-hydroxy-5-pentyl-phenyl)-3-methyl-urea CAS Name: 2-(4-butylphenyl)ethanamine; 1-(2-hydroxy-5-pentylphenyl)-3-methylurea IUPAC Name: 2-(4-butylphenyl)ethanamine; 1-(2-hydroxy-5-pentylphenyl)-3-methylurea Traditional Name: 1-(5-amyl-2-hydroxy-phenyl)-3-methyl-urea; 2-(4-butylphenyl)ethylamine Formula: C25H39N3O2 MolecularWeight: 413.59606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)O)NC(=O)NC.CCCCC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)O)NC(=O)NC.CCCCC1=CC=C(C=C1)CCN

InChI

InChI=1S/C13H20N2O2.C12H19N/c1-3-4-5-6-10-7-8-12(16)11(9-10)15-13(17)14-2;1-2-3-4-11-5-7-12(8-6-11)9-10-13/h7-9,16H,3-6H2,1-2H3,(H2,14,15,17);5-8H,2-4,9-10,13H2,1H3