[(2-methylphenyl)methyl](pyridin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 270153
• Molecular Formular: C14H18Cl2N2
• Molecular Mass: 285.21212
• Monoisotopic Mass: 284.08470395
• SMILES: n1c(CNCc2c(C)cccc2)cccc1.Cl.Cl
• Canonical SMILES: Cc1ccccc1CNCc1ccccn1.Cl.Cl
• InChI: InChI=1S/C14H16N2.2ClH/c1-12-6-2-3-7-13(12)10-15-11-14-8-4-5-9-16-14;;/h2-9,15H,10-11H2,1H3;2*1H
• InChIKey: ZWMULYNOOIZQRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylphenyl)methyl](pyridin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [(2-methylphenyl)methyl](pyridin-2-ylmethyl)amine dihydrochloride
• Synonyms: [(2-methylphenyl)methyl](pyridin-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD17167219
• PubChem SID: 164326063
• PubChem CID: 50988313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22153127
• LogD (pH = 7.4): 1.9528648
• Log P: 2.6332886
• Molar Refractivity: 66.2807 cm^3
• Polarizability: 26.05288 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 221 - 223°C
• Hydrophobicity(logP): 1.62

Product Information

• Purity: 95%