1-(2-fluorophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 292434
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: Cl.CC(C)(N)Cc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1CC(N)(C)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-10(2,12)7-8-5-3-4-6-9(8)11;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: ORHPPLPALQDZTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(2-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(2-Fluorophenyl)-2-methylpropan-2-amine hydrochloride

Database IDs

• CAS Number: 1957-24-0
• PubChem SID: 180677965
• PubChem CID: 70701058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.79450494
• LogD (pH = 7.4): -0.32138065
• Log P: 2.227529
• Molar Refractivity: 48.5598 cm^3
• Polarizability: 18.791533 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%