4-methyl-N-(4-methylphenyl)-N-(4-nitrophenyl)aniline

• ChemBase ID: 291739
• Molecular Formular: C20H18N2O2
• Molecular Mass: 318.36912
• Monoisotopic Mass: 318.13682783
• SMILES: Cc1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C20H18N2O2/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)19-11-13-20(14-12-19)22(23)24/h3-14H,1-2H3
• InChIKey: QQPWXACSUPBIDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-(4-methylphenyl)-N-(4-nitrophenyl)aniline
• IUPAC Traditional name: 4-methyl-N-(4-methylphenyl)-N-(4-nitrophenyl)aniline
• Synonyms: 4-Methyl-N-(4-nitrophenyl)-N-(p-tolyl)aniline

Database IDs

• CAS Number: 20440-92-0
• MDL Number: MFCD13185881
• PubChem SID: 180677270
• PubChem CID: 12250350

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.261633
• LogD (pH = 7.4): 6.261633
• Log P: 6.261633
• Molar Refractivity: 95.6214 cm^3
• Polarizability: 36.03428 Å^3
• Polar Surface Area: 46.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%