2-(naphthalen-1-yloxy)aniline

• ChemBase ID: 19555
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: O(c1c2c(ccc1)cccc2)c1c(N)cccc1
• Canonical SMILES: Nc1ccccc1Oc1cccc2c1cccc2
• InChI: InChI=1S/C16H13NO/c17-14-9-3-4-10-16(14)18-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,17H2
• InChIKey: XGFJMWKZGVEFBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yloxy)aniline
• IUPAC Traditional name: 2-(naphthalen-1-yloxy)aniline
• Synonyms: 2-(1-Naphthyloxy)aniline; 1-(2-Aminophenoxy)naphthalene

Database IDs

• MDL Number: MFCD03094668
• PubChem SID: 160982862
• PubChem CID: 2735389

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.6320994
• LogD (pH = 7.4): 3.6340587
• Log P: 3.6340837
• Molar Refractivity: 73.4494 cm^3
• Polarizability: 29.429049 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false