[2-(4-fluorophenoxy)ethyl](2-methoxyethyl)amine

• ChemBase ID: 272507
• Molecular Formular: C11H16FNO2
• Molecular Mass: 213.2486432
• Monoisotopic Mass: 213.11650698
• SMILES: c1(F)ccc(cc1)OCCNCCOC
• Canonical SMILES: COCCNCCOc1ccc(cc1)F
• InChI: InChI=1S/C11H16FNO2/c1-14-8-6-13-7-9-15-11-4-2-10(12)3-5-11/h2-5,13H,6-9H2,1H3
• InChIKey: RVADSAJOBJVECG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-fluorophenoxy)ethyl](2-methoxyethyl)amine
• IUPAC Traditional name: [2-(4-fluorophenoxy)ethyl](2-methoxyethyl)amine
• Synonyms: [2-(4-fluorophenoxy)ethyl](2-methoxyethyl)amine

Database IDs

• MDL Number: MFCD01909171
• PubChem SID: 164328417
• PubChem CID: 2261847

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4735875
• LogD (pH = 7.4): 0.023583453
• Log P: 1.5468975
• Molar Refractivity: 56.5055 cm^3
• Polarizability: 22.101536 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.14

Product Information

• Purity: 95%