[(4-chlorophenyl)(pyridin-2-yl)methyl](methyl)amine

• ChemBase ID: 272581
• Molecular Formular: C13H13ClN2
• Molecular Mass: 232.70872
• Monoisotopic Mass: 232.07672611
• SMILES: C(c1ccc(cc1)Cl)(c1ncccc1)NC
• Canonical SMILES: CNC(c1ccccn1)c1ccc(cc1)Cl
• InChI: InChI=1S/C13H13ClN2/c1-15-13(12-4-2-3-9-16-12)10-5-7-11(14)8-6-10/h2-9,13,15H,1H3
• InChIKey: QECMPHXFFZJORF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)(pyridin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-chlorophenyl)(pyridin-2-yl)methyl](methyl)amine
• Synonyms: [(4-chlorophenyl)(pyridin-2-yl)methyl](methyl)amine

Database IDs

• MDL Number: MFCD12799149
• PubChem SID: 164328491
• PubChem CID: 50989037

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7213397
• LogD (pH = 7.4): 2.4227226
• Log P: 2.9358683
• Molar Refractivity: 65.7896 cm^3
• Polarizability: 26.091442 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.074

Product Information

• Purity: 95%