N-(4-methoxyphenyl)-4-methyl-N-phenylaniline

• ChemBase ID: 291742
• Molecular Formular: C20H19NO
• Molecular Mass: 289.37096
• Monoisotopic Mass: 289.14666423
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1
• Canonical SMILES: COc1ccc(cc1)N(c1ccc(cc1)C)c1ccccc1
• InChI: InChI=1S/C20H19NO/c1-16-8-10-18(11-9-16)21(17-6-4-3-5-7-17)19-12-14-20(22-2)15-13-19/h3-15H,1-2H3
• InChIKey: KXPUYDGZOZPPLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-4-methyl-N-phenylaniline
• IUPAC Traditional name: N-(4-methoxyphenyl)-4-methyl-N-phenylaniline
• Synonyms: 4-Methoxy-N-phenyl-N-(p-tolyl)aniline

Database IDs

• CAS Number: 97126-56-2
• MDL Number: MFCD16038739
• PubChem SID: 180677273
• PubChem CID: 14766444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.650556
• LogD (pH = 7.4): 5.650556
• Log P: 5.650556
• Molar Refractivity: 90.7229 cm^3
• Polarizability: 34.995926 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%