[6-(4-methoxyphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 258584
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: n1c(Oc2ccc(cc2)OC)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C13H14N2O2/c1-16-11-3-5-12(6-4-11)17-13-7-2-10(8-14)9-15-13/h2-7,9H,8,14H2,1H3
• InChIKey: ZOXMLFBPKXJGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methoxyphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(4-methoxyphenoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(4-methoxyphenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09734174
• PubChem SID: 164314494
• PubChem CID: 16787413

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1191934
• LogD (pH = 7.4): 0.09054487
• Log P: 1.8184153
• Molar Refractivity: 65.392 cm^3
• Polarizability: 25.640604 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%