N-[2-(pyridin-2-ylmethoxy)phenyl]oxan-4-amine

• ChemBase ID: 666309
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: N(c1c(OCc2ncccc2)cccc1)C1CCOCC1
• Canonical SMILES: O1CCC(CC1)Nc1ccccc1OCc1ccccn1
• InChI: InChI=1S/C17H20N2O2/c1-2-7-17(21-13-15-5-3-4-10-18-15)16(6-1)19-14-8-11-20-12-9-14/h1-7,10,14,19H,8-9,11-13H2
• InChIKey: FEUZUSIMDITBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyridin-2-ylmethoxy)phenyl]oxan-4-amine
• IUPAC Traditional name: N-[2-(pyridin-2-ylmethoxy)phenyl]oxan-4-amine
• Synonyms: N-[2-(2-pyridinylmethoxy)phenyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.756275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6675595
• LogD (pH = 7.4): 1.8352342
• Log P: 1.8378114
• Molar Refractivity: 83.124 cm^3
• Polarizability: 31.849741 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -1.38
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 5