2-(naphthalen-1-ylmethoxy)aniline

• ChemBase ID: 19505
• Molecular Formular: C17H15NO
• Molecular Mass: 249.3071
• Monoisotopic Mass: 249.11536411
• SMILES: c12c(COc3c(N)cccc3)cccc1cccc2
• Canonical SMILES: Nc1ccccc1OCc1cccc2c1cccc2
• InChI: InChI=1S/C17H15NO/c18-16-10-3-4-11-17(16)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12,18H2
• InChIKey: TUGVMEJBZBPMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-ylmethoxy)aniline
• IUPAC Traditional name: 2-(naphthalen-1-ylmethoxy)aniline
• Synonyms: 2-(1-Naphthylmethoxy)aniline

Database IDs

• MDL Number: MFCD08688418
• PubChem SID: 160982812
• PubChem CID: 26189088

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6667793
• LogD (pH = 7.4): 3.7001557
• Log P: 3.7005985
• Molar Refractivity: 78.2844 cm^3
• Polarizability: 31.207058 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false