2-phenyl-2-(pyridin-3-yloxy)ethan-1-amine

• ChemBase ID: 808892
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: NCC(Oc1cnccc1)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1cccnc1
• InChI: InChI=1S/C13H14N2O/c14-9-13(11-5-2-1-3-6-11)16-12-7-4-8-15-10-12/h1-8,10,13H,9,14H2
• InChIKey: QPBLVMRHHIHFNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(pyridin-3-yloxy)ethan-1-amine
• IUPAC Traditional name: 2-phenyl-2-(pyridin-3-yloxy)ethanamine
• Synonyms: 2-PHENYL-2-(PYRIDIN-3-YLOXY)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3867874
• LogD (pH = 7.4): -0.013470742
• Log P: 1.5851585
• Molar Refractivity: 62.5969 cm^3
• Polarizability: 24.922794 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%