2-(4-fluoro-2,5-dimethoxyphenyl)ethan-1-amine

• ChemBase ID: 125313
• Molecular Formular: C10H14FNO2
• Molecular Mass: 199.2220632
• Monoisotopic Mass: 199.10085691
• SMILES: Fc1cc(OC)c(cc1OC)CCN
• Canonical SMILES: NCCc1cc(OC)c(cc1OC)F
• InChI: InChI=1S/C10H14FNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
• InChIKey: QAVFEDRVOUKIPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-2,5-dimethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(4-fluoro-2,5-dimethoxyphenyl)ethanamine
• Synonyms: 2C-F

Database IDs

• CAS Number: 207740-15-6
• PubChem SID: 162219663
• PubChem CID: 44719499
• Chemspider ID: 21106223
• Wikipedia Title: 2C-F

CALCULATED PROPERTIES

• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7890301
• LogD (pH = 7.4): -1.0073183
• Log P: 1.2150348
• Molar Refractivity: 52.4292 cm^3
• Polarizability: 20.177513 Å^3