3-(3,5-dimethylphenyl)aniline

• ChemBase ID: 292162
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: Nc1cc(c2cc(C)cc(C)c2)ccc1
• Canonical SMILES: Nc1cccc(c1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C14H15N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14(15)9-12/h3-9H,15H2,1-2H3
• InChIKey: TURLSKOYQKDDNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dimethylphenyl)aniline
• IUPAC Traditional name: 3-(3,5-dimethylphenyl)aniline
• Synonyms: 3',5'-Dimethyl-[1,1'-biphenyl]-3-amine

Database IDs

• CAS Number: 783325-73-5
• PubChem SID: 180677693
• PubChem CID: 12166236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7880616
• LogD (pH = 7.4): 3.8179927
• Log P: 3.818388
• Molar Refractivity: 65.977 cm^3
• Polarizability: 26.119669 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%