N-benzyl-6-chloro-N-methylpyridin-2-amine

• ChemBase ID: 48693
• Molecular Formular: C13H13ClN2
• Molecular Mass: 232.70872
• Monoisotopic Mass: 232.07672611
• SMILES: n1c(N(Cc2ccccc2)C)cccc1Cl
• Canonical SMILES: Clc1cccc(n1)N(Cc1ccccc1)C
• InChI: InChI=1S/C13H13ClN2/c1-16(10-11-6-3-2-4-7-11)13-9-5-8-12(14)15-13/h2-9H,10H2,1H3
• InChIKey: QYMHFUDSNAUJNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-6-chloro-N-methylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-6-chloro-N-methylpyridin-2-amine
• Synonyms: N-Benzyl-6-chloro-N-methyl-2-pyridinamine

Database IDs

• MDL Number: MFCD13561964
• PubChem SID: 162053456
• PubChem CID: 53410832

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0063334
• LogD (pH = 7.4): 4.0067644
• Log P: 4.0067697
• Molar Refractivity: 69.1219 cm^3
• Polarizability: 25.772434 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false