[2-(oxan-4-yloxy)pyridin-4-yl]methanamine

• ChemBase ID: 274514
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(nccc(c1)CN)OC1CCOCC1
• Canonical SMILES: NCc1ccnc(c1)OC1CCOCC1
• InChI: InChI=1S/C11H16N2O2/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2
• InChIKey: HQJIPLPCDHLOFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(oxan-4-yloxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(oxan-4-yloxy)pyridin-4-yl]methanamine
• Synonyms: [2-(oxan-4-yloxy)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD09258823
• PubChem SID: 164330424
• PubChem CID: 28875429

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.668912
• LogD (pH = 7.4): -1.5013095
• Log P: 0.2793142
• Molar Refractivity: 57.6267 cm^3
• Polarizability: 22.645288 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.049

Product Information

• Purity: 95%