5-fluoro-2-(2-phenylethoxy)aniline

• ChemBase ID: 19955
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: c1(cc(ccc1OCCc1ccccc1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)OCCc1ccccc1
• InChI: InChI=1S/C14H14FNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9,16H2
• InChIKey: UHMZZJXCMIHFMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(2-phenylethoxy)aniline
• IUPAC Traditional name: 5-fluoro-2-(2-phenylethoxy)aniline
• Synonyms: 5-Fluoro-2-(phenethyloxy)aniline

Database IDs

• MDL Number: MFCD08687877
• PubChem SID: 160983262
• PubChem CID: 26189631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1396801
• LogD (pH = 7.4): 3.1424494
• Log P: 3.142485
• Molar Refractivity: 66.8056 cm^3
• Polarizability: 24.993853 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