2-(naphthalen-2-yloxy)aniline

• ChemBase ID: 19557
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: O(c1c(N)cccc1)c1cc2c(cc1)cccc2
• Canonical SMILES: Nc1ccccc1Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H13NO/c17-15-7-3-4-8-16(15)18-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,17H2
• InChIKey: KNYWJNQPNWFFHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)aniline
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)aniline
• Synonyms: 2-(2-Naphthyloxy)aniline

Database IDs

• MDL Number: MFCD00506410
• PubChem SID: 160982864
• PubChem CID: 2302295

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6321118
• LogD (pH = 7.4): 3.634059
• Log P: 3.6340837
• Molar Refractivity: 73.4494 cm^3
• Polarizability: 29.42487 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false