2-(2-fluorophenoxy)-5-methylaniline

• ChemBase ID: 19815
• Molecular Formular: C13H12FNO
• Molecular Mass: 217.2388832
• Monoisotopic Mass: 217.09029223
• SMILES: O(c1c(cc(cc1)C)N)c1c(F)cccc1
• Canonical SMILES: Cc1ccc(c(c1)N)Oc1ccccc1F
• InChI: InChI=1S/C13H12FNO/c1-9-6-7-13(11(15)8-9)16-12-5-3-2-4-10(12)14/h2-8H,15H2,1H3
• InChIKey: JSPLEJOLSIXIDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(2-fluorophenoxy)-5-methylaniline
• Synonyms: 2-(2-Fluorophenoxy)-5-methylaniline

Database IDs

• MDL Number: MFCD08687887
• PubChem SID: 160983122
• PubChem CID: 17605671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2992854
• LogD (pH = 7.4): 3.300712
• Log P: 3.3007305
• Molar Refractivity: 62.2568 cm^3
• Polarizability: 23.209297 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