4-(4-ethylphenyl)aniline

• ChemBase ID: 798643
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: c1(ccc(cc1)c1ccc(cc1)CC)N
• Canonical SMILES: CCc1ccc(cc1)c1ccc(cc1)N
• InChI: InChI=1S/C14H15N/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2,15H2,1H3
• InChIKey: NMCSKBJWADPKPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-ethylphenyl)aniline
• IUPAC Traditional name: 4-(4-ethylphenyl)aniline
• Synonyms: 4'-ethyl-4-biphenylamine

Database IDs

• CAS Number: 5728-70-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7254672
• LogD (pH = 7.4): 3.7492237
• Log P: 3.7495353
• Molar Refractivity: 65.5368 cm^3
• Polarizability: 26.198492 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%