4,6-dibromo-2,3-dimethylaniline

• ChemBase ID: 79046
• Molecular Formular: C8H9Br2N
• Molecular Mass: 278.97176
• Monoisotopic Mass: 276.91017329
• SMILES: Nc1c(cc(c(c1C)C)Br)Br
• Canonical SMILES: Cc1c(Br)cc(c(c1C)N)Br
• InChI: InChI=1S/C8H9Br2N/c1-4-5(2)8(11)7(10)3-6(4)9/h3H,11H2,1-2H3
• InChIKey: RSHQVLGRKLJUHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dibromo-2,3-dimethylaniline
• IUPAC Traditional name: 4,6-dibromo-2,3-dimethylaniline
• Synonyms: 4,6-dibromo-2,3-dimethylaniline

Database IDs

• MDL Number: MFCD00828788
• PubChem SID: 162043809
• PubChem CID: 2774626

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7075667
• LogD (pH = 7.4): 3.708654
• Log P: 3.708668
• Molar Refractivity: 56.0864 cm^3
• Polarizability: 20.78701 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true