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

• ChemBase ID: 815097
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: C(NC)c1cnccc1OC
• Canonical SMILES: CNCc1cnccc1OC
• InChI: InChI=1S/C8H12N2O/c1-9-5-7-6-10-4-3-8(7)11-2/h3-4,6,9H,5H2,1-2H3
• InChIKey: XOGPRRCAPKDVLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-methoxypyridin-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(4-methoxypyridin-3-yl)methyl](methyl)amine
• Synonyms: 1-(4-methoxypyridin-3-yl)-N-methylmethanamine

Database IDs

• CAS Number: 179873-55-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7591994
• LogD (pH = 7.4): -1.0839528
• Log P: 0.15625095
• Molar Refractivity: 43.6123 cm^3
• Polarizability: 17.148722 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%