4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline

• ChemBase ID: 798637
• Molecular Formular: C20H19NO2
• Molecular Mass: 305.37036
• Monoisotopic Mass: 305.14157885
• SMILES: N(c1ccc(cc1)OC)(c1ccccc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C20H19NO2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15H,1-2H3
• InChIKey: ZJPTYHDCQPDNBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
• IUPAC Traditional name: 4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline
• Synonyms: 4-methoxy-n-(4-methoxyphenyl)-n-phenylbenzenamine

Database IDs

• CAS Number: 20440-94-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.9794636
• LogD (pH = 7.4): 4.9794636
• Log P: 4.9794636
• Molar Refractivity: 92.1449 cm^3
• Polarizability: 35.709408 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%