4-methyl-N-[4-(propan-2-yl)phenyl]aniline

• ChemBase ID: 287461
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: Cc1ccc(Nc2ccc(C(C)C)cc2)cc1
• Canonical SMILES: Cc1ccc(cc1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C16H19N/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h4-12,17H,1-3H3
• InChIKey: AKMQYRHTSCDPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[4-(propan-2-yl)phenyl]aniline
• IUPAC Traditional name: N-(4-isopropylphenyl)-4-methylaniline
• Synonyms: p-Isopropylphenyl-p-tolyl-amine

Database IDs

• CAS Number: 494834-22-9
• PubChem SID: 180672992
• PubChem CID: 22762475

CALCULATED PROPERTIES

• Log P: 5.1716022
• Molar Refractivity: 73.7762 cm^3
• Polarizability: 28.359753 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.1715517
• LogD (pH = 7.4): 5.1716013

PROPERTIES

Product Information

• Purity: 95+%