[(6-methylpyridin-2-yl)methyl](2-phenylethyl)amine dihydrochloride

• ChemBase ID: 15850
• Molecular Formular: C15H20Cl2N2
• Molecular Mass: 299.2387
• Monoisotopic Mass: 298.10035401
• SMILES: C(NCCc1ccccc1)c1cccc(C)n1.Cl.Cl
• Canonical SMILES: Cc1cccc(n1)CNCCc1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H18N2.2ClH/c1-13-6-5-9-15(17-13)12-16-11-10-14-7-3-2-4-8-14;;/h2-9,16H,10-12H2,1H3;2*1H
• InChIKey: KONAUBHLCDDYTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-methylpyridin-2-yl)methyl](2-phenylethyl)amine dihydrochloride
• IUPAC Traditional name: [(6-methylpyridin-2-yl)methyl](2-phenylethyl)amine dihydrochloride
• Synonyms: N-[(6-Methylpyridin-2-yl)methyl]-2-phenylethanamine dihydrochloride

Database IDs

• MDL Number: MFCD06801106
• PubChem SID: 160979157
• PubChem CID: 45075094

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.37915745
• LogD (pH = 7.4): 1.2258182
• Log P: 2.5398986
• Molar Refractivity: 70.586 cm^3
• Polarizability: 27.822372 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false