4-(2-aminophenyl)-N,N-dimethylaniline

• ChemBase ID: 19401
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(c2ccc(N(C)C)cc2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1c1ccc(cc1)N(C)C
• InChI: InChI=1S/C14H16N2/c1-16(2)12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h3-10H,15H2,1-2H3
• InChIKey: SEHUXZAVJUWQET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminophenyl)-N,N-dimethylaniline
• IUPAC Traditional name: 4-(2-aminophenyl)-N,N-dimethylaniline
• Synonyms: N~4~',N~4~'-dimethyl[1,1'-biphenyl]-2,4'-diamine

Database IDs

• MDL Number: MFCD08688451
• PubChem SID: 160982708
• PubChem CID: 26188945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8013551
• LogD (pH = 7.4): 2.8982263
• Log P: 2.899589
• Molar Refractivity: 70.3232 cm^3
• Polarizability: 27.36646 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false