1-(4-fluorophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 97204
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: NC(Cc1ccc(cc1)F)(C)C.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)F)(N)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: WXNVDQWUGUEUMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-fluorophenyl)-2-methylpropan-2-amine hydrochloride
• Synonyms: 1-(4-Fluorophenyl)-2-methylpropan-2-amine hydrochloride; 2-Amino-1-(4-fluorophenyl)-2-methylpropane hydrochloride; 1,1-Dimethyl-2-(4-fluorophenyl)ethylamine hydrochloride; alpha,alpha-Dimethyl-4-fluorophenethylamine hydrochloride

Database IDs

• CAS Number: 2413-54-9
• MDL Number: MFCD00075463
• PubChem SID: 162083815
• PubChem CID: 22597146

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7974007
• LogD (pH = 7.4): -0.40598533
• Log P: 2.227529
• Molar Refractivity: 48.5598 cm^3
• Polarizability: 18.789768 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%