2-(naphthalen-2-yloxy)propan-1-amine

• ChemBase ID: 808800
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: NCC(C)Oc1ccc2c(cccc2)c1
• Canonical SMILES: NCC(Oc1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C13H15NO/c1-10(9-14)15-13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9,14H2,1H3
• InChIKey: JMXBHOJUMQYBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)propan-1-amine
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)propan-1-amine
• Synonyms: 2-(NAPHTHALEN-2-YLOXY)-PROPYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5435093
• LogD (pH = 7.4): 0.5272387
• Log P: 2.4246426
• Molar Refractivity: 61.34 cm^3
• Polarizability: 25.668325 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%