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

• ChemBase ID: 97696
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: N[C@@H](c1ccc(cc1)F)C(C)C.Cl
• Canonical SMILES: N[C@@H](c1ccc(cc1)F)C(C)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-7(2)10(12)8-3-5-9(11)6-4-8;/h3-7,10H,12H2,1-2H3;1H/t10-;/m1./s1
• InChIKey: GFLUEYAXNOWLIN-HNCPQSOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine hydrochloride
• IUPAC Traditional name: (1R)-1-(4-fluorophenyl)-2-methylpropan-1-amine hydrochloride
• Synonyms: (R)-4-Fluoro-alpha-isopropylbenzylamine hydrochloride; (1R)-1-(4-Fluorophenyl)-2-methylpropylamine hydrochloride

Database IDs

• PubChem SID: 162105059
• PubChem CID: 45072381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4622777
• LogD (pH = 7.4): 0.26829082
• Log P: 2.5457864
• Molar Refractivity: 48.1622 cm^3
• Polarizability: 18.864515 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon