2-(quinolin-8-yloxy)propan-1-amine

• ChemBase ID: 808803
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: NCC(C)Oc1cccc2c1nccc2
• Canonical SMILES: NCC(Oc1cccc2c1nccc2)C
• InChI: InChI=1S/C12H14N2O/c1-9(8-13)15-11-6-2-4-10-5-3-7-14-12(10)11/h2-7,9H,8,13H2,1H3
• InChIKey: NAUXJIUZSPMPNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-8-yloxy)propan-1-amine
• IUPAC Traditional name: 2-(quinolin-8-yloxy)propan-1-amine
• Synonyms: 2-(QUINOLIN-8-YLOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3762671
• LogD (pH = 7.4): -0.30454567
• Log P: 1.5928204
• Molar Refractivity: 58.8111 cm^3
• Polarizability: 24.731722 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%