methyl({[3-(pyridin-2-yloxy)phenyl]methyl})amine

• ChemBase ID: 101317
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(ncccc1)Oc1cc(CNC)ccc1
• Canonical SMILES: CNCc1cccc(c1)Oc1ccccn1
• InChI: InChI=1S/C13H14N2O/c1-14-10-11-5-4-6-12(9-11)16-13-7-2-3-8-15-13/h2-9,14H,10H2,1H3
• InChIKey: OEPWSCXLHMBFPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(pyridin-2-yloxy)phenyl]methyl})amine
• IUPAC Traditional name: methyl({[3-(pyridin-2-yloxy)phenyl]methyl})amine
• Synonyms: N-methyl-N-[3-(pyridin-2-yloxy)benzyl]amine

Database IDs

• CAS Number: 871825-60-4
• MDL Number: MFCD09025856
• PubChem SID: 162086749
• PubChem CID: 18525840

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7592253
• LogD (pH = 7.4): 0.3621461
• Log P: 2.4086668
• Molar Refractivity: 63.7034 cm^3
• Polarizability: 24.98434 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%