4-(naphthalen-1-yloxy)aniline

• ChemBase ID: 91145
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: O(c1cccc2c1cccc2)c1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1cccc2c1cccc2
• InChI: InChI=1S/C16H13NO/c17-13-8-10-14(11-9-13)18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,17H2
• InChIKey: PYGYJLHOEOYGIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(naphthalen-1-yloxy)aniline
• IUPAC Traditional name: 4-(naphthalen-1-yloxy)aniline
• Synonyms: 1-(4-Aminophenoxy)naphthalene

Database IDs

• MDL Number: MFCD01806280
• PubChem SID: 162077849
• PubChem CID: 819583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.600815
• LogD (pH = 7.4): 3.6336486
• Log P: 3.6340837
• Molar Refractivity: 73.4494 cm^3
• Polarizability: 29.426813 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant