methyl[(5-phenoxypyridin-3-yl)methyl]amine

• ChemBase ID: 815051
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: C(NC)c1cncc(c1)Oc1ccccc1
• Canonical SMILES: CNCc1cncc(c1)Oc1ccccc1
• InChI: InChI=1S/C13H14N2O/c1-14-8-11-7-13(10-15-9-11)16-12-5-3-2-4-6-12/h2-7,9-10,14H,8H2,1H3
• InChIKey: PKSOVCSVFDCESV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-phenoxypyridin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-phenoxypyridin-3-yl)methyl]amine
• Synonyms: N-methyl-1-(5-phenoxypyridin-3-yl)methanamine

Database IDs

• CAS Number: 1060804-60-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2545172
• LogD (pH = 7.4): 0.16593345
• Log P: 1.8142095
• Molar Refractivity: 63.3899 cm^3
• Polarizability: 24.982073 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%