[(3,4-dichlorophenyl)methyl](pyridin-2-ylmethyl)amine

• ChemBase ID: 264590
• Molecular Formular: C13H12Cl2N2
• Molecular Mass: 267.15378
• Monoisotopic Mass: 266.03775375
• SMILES: c1(c(ccc(c1)CNCc1ncccc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1Cl)CNCc1ccccn1
• InChI: InChI=1S/C13H12Cl2N2/c14-12-5-4-10(7-13(12)15)8-16-9-11-3-1-2-6-17-11/h1-7,16H,8-9H2
• InChIKey: DJSKSKCQEQMUQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dichlorophenyl)methyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [(3,4-dichlorophenyl)methyl](pyridin-2-ylmethyl)amine
• Synonyms: [(3,4-dichlorophenyl)methyl](pyridin-2-ylmethyl)amine

Database IDs

• MDL Number: MFCD07395339
• PubChem SID: 164320500
• PubChem CID: 4719781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2206298
• LogD (pH = 7.4): 2.8926218
• Log P: 3.3279567
• Molar Refractivity: 70.8491 cm^3
• Polarizability: 27.98465 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.477

Product Information

• Purity: 95%