4-(2-azanylethyl)aniline; 1-methyl-3-(2-oxidanyl-5-pentyl-phenyl)urea

Systemtic Name: 4-(2-azanylethyl)aniline; 1-methyl-3-(2-oxidanyl-5-pentyl-phenyl)urea Openeye Name: 4-(2-aminoethyl)aniline; 1-(2-hydroxy-5-pentyl-phenyl)-3-methyl-urea CAS Name: 4-(2-aminoethyl)aniline; 1-(2-hydroxy-5-pentylphenyl)-3-methylurea IUPAC Name: 4-(2-aminoethyl)aniline; 1-(2-hydroxy-5-pentylphenyl)-3-methylurea Traditional Name: [4-(2-aminoethyl)phenyl]amine; 1-(5-amyl-2-hydroxy-phenyl)-3-methyl-urea Formula: C21H32N4O2 MolecularWeight: 372.50438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)O)NC(=O)NC.C1=CC(=CC=C1CCN)N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)O)NC(=O)NC.C1=CC(=CC=C1CCN)N

InChI

InChI=1S/C13H20N2O2.C8H12N2/c1-3-4-5-6-10-7-8-12(16)11(9-10)15-13(17)14-2;9-6-5-7-1-3-8(10)4-2-7/h7-9,16H,3-6H2,1-2H3,(H2,14,15,17);1-4H,5-6,9-10H2