2-(2-benzylphenoxy)-5-fluoroaniline

• ChemBase ID: 19985
• Molecular Formular: C19H16FNO
• Molecular Mass: 293.3348432
• Monoisotopic Mass: 293.12159236
• SMILES: O(c1c(cc(cc1)F)N)c1c(Cc2ccccc2)cccc1
• Canonical SMILES: Fc1ccc(c(c1)N)Oc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C19H16FNO/c20-16-10-11-19(17(21)13-16)22-18-9-5-4-8-15(18)12-14-6-2-1-3-7-14/h1-11,13H,12,21H2
• InChIKey: OMLBBKKITBHNSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-benzylphenoxy)-5-fluoroaniline
• IUPAC Traditional name: 2-(2-benzylphenoxy)-5-fluoroaniline
• Synonyms: 2-(2-Benzylphenoxy)-5-fluoroaniline

Database IDs

• MDL Number: MFCD08686894
• PubChem SID: 160983292
• PubChem CID: 26189657

CALCULATED PROPERTIES

• Acid pKa: 19.128763
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.878932
• LogD (pH = 7.4): 4.879101
• Log P: 4.879103
• Molar Refractivity: 86.9528 cm^3
• Polarizability: 32.81011 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false