4-(2-fluorophenoxy)-2-methylaniline

• ChemBase ID: 20513
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: O(c1c(F)cccc1)c1cc(c(cc1)N)C
• Canonical SMILES: Fc1ccccc1Oc1ccc(c(c1)C)N
• InChI: InChI=1S/C13H12FNO/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14/h2-8H,15H2,1H3
• InChIKey: GFGWIIFHXQFNOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-fluorophenoxy)-2-methylaniline
• IUPAC Traditional name: 4-(2-fluorophenoxy)-2-methylaniline
• Synonyms: 4-(2-Fluorophenoxy)-2-methylaniline

Database IDs

• MDL Number: MFCD08687892
• PubChem SID: 160983820
• PubChem CID: 26190288

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2884417
• LogD (pH = 7.4): 3.3005733
• Log P: 3.3007305
• Molar Refractivity: 62.2568 cm^3
• Polarizability: 23.207933 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false