4-[3-(4-methylphenyl)propyl]aniline

• ChemBase ID: 282004
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: c1(N)ccc(cc1)CCCc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)CCCc1ccc(cc1)N
• InChI: InChI=1S/C16H19N/c1-13-5-7-14(8-6-13)3-2-4-15-9-11-16(17)12-10-15/h5-12H,2-4,17H2,1H3
• InChIKey: URPVXOSXGYJGIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(4-methylphenyl)propyl]aniline
• IUPAC Traditional name: 4-[3-(4-methylphenyl)propyl]aniline
• Synonyms: 4-[3-(4-methylphenyl)propyl]aniline

Database IDs

• MDL Number: MFCD16547822
• PubChem SID: 180667535
• PubChem CID: 13304254

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.5625486
• LogD (pH = 7.4): 4.637625
• Log P: 4.638673
• Molar Refractivity: 74.7388 cm^3
• Polarizability: 28.283625 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.389

Product Information

• Purity: 95%