N-benzyl-4-bromo-N-methylpyridin-2-amine

• ChemBase ID: 290608
• Molecular Formular: C13H13BrN2
• Molecular Mass: 277.15972
• Monoisotopic Mass: 276.02621043
• SMILES: CN(Cc1ccccc1)c1nccc(Br)c1
• Canonical SMILES: Brc1ccnc(c1)N(Cc1ccccc1)C
• InChI: InChI=1S/C13H13BrN2/c1-16(10-11-5-3-2-4-6-11)13-9-12(14)7-8-15-13/h2-9H,10H2,1H3
• InChIKey: PAKWQRXXEQXRFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-bromo-N-methylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-4-bromo-N-methylpyridin-2-amine
• Synonyms: N-Benzyl-4-bromo-N-methylpyridin-2-amine

Database IDs

• CAS Number: 1289132-66-6
• PubChem SID: 180676139
• PubChem CID: 54758821

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.747614
• LogD (pH = 7.4): 3.9479756
• Log P: 3.9513006
• Molar Refractivity: 70.8786 cm^3
• Polarizability: 26.539091 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%