[(6-methoxypyridin-3-yl)methyl](methyl)amine

• ChemBase ID: 241835
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: n1c(ccc(c1)CNC)OC
• Canonical SMILES: CNCc1ccc(nc1)OC
• InChI: InChI=1S/C8H12N2O/c1-9-5-7-3-4-8(11-2)10-6-7/h3-4,6,9H,5H2,1-2H3
• InChIKey: OTFOOSOJJVETBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(6-methoxypyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(6-methoxypyridin-3-yl)methyl](methyl)amine
• Synonyms: [(6-methoxypyridin-3-yl)methyl](methyl)amine; 1-(6-methoxypyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 179873-20-2
• MDL Number: MFCD13188749
• PubChem SID: 164297745
• PubChem CID: 23077763

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.358076
• LogD (pH = 7.4): -1.0278591
• Log P: 0.75070846
• Molar Refractivity: 43.9258 cm^3
• Polarizability: 17.154827 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.833

Product Information

• Purity: 95%; 98%