2-(benzyloxy)-5-fluoroaniline

• ChemBase ID: 19964
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: c1(cc(ccc1OCc1ccccc1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)OCc1ccccc1
• InChI: InChI=1S/C13H12FNO/c14-11-6-7-13(12(15)8-11)16-9-10-4-2-1-3-5-10/h1-8H,9,15H2
• InChIKey: NMRHRZIRARORAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-fluoroaniline
• IUPAC Traditional name: 2-(benzyloxy)-5-fluoroaniline
• Synonyms: 2-(Benzyloxy)-5-fluoroaniline

Database IDs

• MDL Number: MFCD08686865
• PubChem SID: 160983271
• PubChem CID: 19627145

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8514583
• LogD (pH = 7.4): 2.8537939
• Log P: 2.8538237
• Molar Refractivity: 62.0506 cm^3
• Polarizability: 23.225908 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.306

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%