1-(3-fluorophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 292436
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: Cl.CC(C)(N)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CC(N)(C)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-10(2,12)7-8-4-3-5-9(11)6-8;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: LOPTXFDYYLEEQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(3-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(3-Fluorophenyl)-2-methylpropan-2-amine hydrochloride

Database IDs

• CAS Number: 2194-88-9
• PubChem SID: 180677967
• PubChem CID: 70701057

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.79652387
• LogD (pH = 7.4): -0.37863645
• Log P: 2.227529
• Molar Refractivity: 48.5598 cm^3
• Polarizability: 18.790163 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%