[2-(3-methoxyphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 278615
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(c(CN)cccn1)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)Oc1ncccc1CN
• InChI: InChI=1S/C13H14N2O2/c1-16-11-5-2-6-12(8-11)17-13-10(9-14)4-3-7-15-13/h2-8H,9,14H2,1H3
• InChIKey: RMBZHWHXKSGEON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxyphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(3-methoxyphenoxy)pyridin-3-yl]methanamine
• Synonyms: [2-(3-methoxyphenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09731838
• PubChem SID: 164334525
• PubChem CID: 16785092

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0265434
• LogD (pH = 7.4): 0.41306663
• Log P: 1.8184153
• Molar Refractivity: 65.392 cm^3
• Polarizability: 25.64158 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.614

Product Information

• Purity: 95%