2-(2-cyclohexylethoxy)-5-fluoroaniline

• ChemBase ID: 19949
• Molecular Formular: C14H20FNO
• Molecular Mass: 237.3131032
• Monoisotopic Mass: 237.15289249
• SMILES: c1(cc(ccc1OCCC1CCCCC1)F)N
• Canonical SMILES: Fc1ccc(c(c1)N)OCCC1CCCCC1
• InChI: InChI=1S/C14H20FNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
• InChIKey: GTNASJXTWNUXQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclohexylethoxy)-5-fluoroaniline
• IUPAC Traditional name: 2-(2-cyclohexylethoxy)-5-fluoroaniline
• Synonyms: 2-(2-Cyclohexylethoxy)-5-fluoroaniline

Database IDs

• MDL Number: MFCD08687483
• PubChem SID: 160983256
• PubChem CID: 26189623

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6071448
• LogD (pH = 7.4): 3.6102095
• Log P: 3.6102488
• Molar Refractivity: 67.861 cm^3
• Polarizability: 25.801369 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