(2-methoxyphenyl)(pyridin-2-yl)methanamine

• ChemBase ID: 244189
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(C(c2ncccc2)N)c(OC)cccc1
• Canonical SMILES: COc1ccccc1C(c1ccccn1)N
• InChI: InChI=1S/C13H14N2O/c1-16-12-8-3-2-6-10(12)13(14)11-7-4-5-9-15-11/h2-9,13H,14H2,1H3
• InChIKey: ZJWYEBFUZYOBGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)(pyridin-2-yl)methanamine
• IUPAC Traditional name: (2-methoxyphenyl)(pyridin-2-yl)methanamine
• Synonyms: (2-methoxyphenyl)(pyridin-2-yl)methanamine

Database IDs

• MDL Number: MFCD12153918
• PubChem SID: 164300099
• PubChem CID: 13405706

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.32120842
• LogD (pH = 7.4): 1.3247406
• Log P: 1.7415719
• Molar Refractivity: 62.6734 cm^3
• Polarizability: 24.9182 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.864

Product Information

• Purity: 95%