2-(4-butoxyphenyl)ethanamine; 1-methyl-3-(3-pentylphenyl)urea

Systemtic Name: 2-(4-butoxyphenyl)ethanamine; 1-methyl-3-(3-pentylphenyl)urea Openeye Name: 2-(4-butoxyphenyl)ethanamine; 1-methyl-3-(3-pentylphenyl)urea CAS Name: 2-(4-butoxyphenyl)ethanamine; 1-methyl-3-(3-pentylphenyl)urea IUPAC Name: 2-(4-butoxyphenyl)ethanamine; 1-methyl-3-(3-pentylphenyl)urea Traditional Name: 1-(3-amylphenyl)-3-methyl-urea; 2-(4-butoxyphenyl)ethylamine Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=CC=C1)NC(=O)NC.CCCCOC1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=CC=C1)NC(=O)NC.CCCCOC1=CC=C(C=C1)CCN

InChI

InChI=1S/C13H20N2O.C12H19NO/c1-3-4-5-7-11-8-6-9-12(10-11)15-13(16)14-2;1-2-3-10-14-12-6-4-11(5-7-12)8-9-13/h6,8-10H,3-5,7H2,1-2H3,(H2,14,15,16);4-7H,2-3,8-10,13H2,1H3