2-(benzyloxy)-N-[2-(naphthalen-1-yl)ethyl]aniline

• ChemBase ID: 29580
• Molecular Formular: C25H23NO
• Molecular Mass: 353.45622
• Monoisotopic Mass: 353.17796436
• SMILES: c12c(CCNc3c(OCc4ccccc4)cccc3)cccc1cccc2
• Canonical SMILES: c1ccc(cc1)COc1ccccc1NCCc1cccc2c1cccc2
• InChI: InChI=1S/C25H23NO/c1-2-9-20(10-3-1)19-27-25-16-7-6-15-24(25)26-18-17-22-13-8-12-21-11-4-5-14-23(21)22/h1-16,26H,17-19H2
• InChIKey: CHSPOQKGQFSTHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-N-[2-(naphthalen-1-yl)ethyl]aniline
• IUPAC Traditional name: 2-(benzyloxy)-N-[2-(naphthalen-1-yl)ethyl]aniline
• Synonyms: 2-(Benzyloxy)-N-[2-(1-naphthyl)ethyl]aniline

Database IDs

• MDL Number: MFCD10688175
• PubChem SID: 160992887
• PubChem CID: 28308925

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.8500257
• LogD (pH = 7.4): 6.0129066
• Log P: 6.0154366
• Molar Refractivity: 113.1454 cm^3
• Polarizability: 44.463192 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false