benzyl[(3-methylpyridin-2-yl)methyl]amine hydrochloride

• ChemBase ID: 24047
• Molecular Formular: C14H17ClN2
• Molecular Mass: 248.75118
• Monoisotopic Mass: 248.10802623
• SMILES: c1(c(cccn1)C)CNCc1ccccc1.Cl
• Canonical SMILES: Cc1cccnc1CNCc1ccccc1.Cl
• InChI: InChI=1S/C14H16N2.ClH/c1-12-6-5-9-16-14(12)11-15-10-13-7-3-2-4-8-13;/h2-9,15H,10-11H2,1H3;1H
• InChIKey: SDYRGMQHOJUBCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(3-methylpyridin-2-yl)methyl]amine hydrochloride
• IUPAC Traditional name: benzyl[(3-methylpyridin-2-yl)methyl]amine hydrochloride
• Synonyms: Benzyl-(3-methyl-pyridin-2-ylmethyl)-amine hydrochloride

Database IDs

• MDL Number: MFCD09997618
• PubChem SID: 160987354
• PubChem CID: 46735952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21662675
• LogD (pH = 7.4): 1.9475518
• Log P: 2.6332886
• Molar Refractivity: 66.2807 cm^3
• Polarizability: 26.053524 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false