2-phenyl-2-(quinolin-6-yloxy)ethan-1-amine

• ChemBase ID: 808896
• Molecular Formular: C17H16N2O
• Molecular Mass: 264.32174
• Monoisotopic Mass: 264.12626314
• SMILES: NCC(Oc1ccc2c(c1)cccn2)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1ccc2c(c1)cccn2
• InChI: InChI=1S/C17H16N2O/c18-12-17(13-5-2-1-3-6-13)20-15-8-9-16-14(11-15)7-4-10-19-16/h1-11,17H,12,18H2
• InChIKey: XZYDMWNPFQRCLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-(quinolin-6-yloxy)ethan-1-amine
• IUPAC Traditional name: 2-phenyl-2-(quinolin-6-yloxy)ethanamine
• Synonyms: 2-PHENYL-2-(QUINOLIN-6-YLOXY)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.002046724
• LogD (pH = 7.4): 1.3620256
• Log P: 2.9604857
• Molar Refractivity: 78.6751 cm^3
• Polarizability: 32.516125 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%