(1R)-1-(3-fluoro-4-methylphenyl)propan-1-amine hydrochloride

• ChemBase ID: 246455
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: c1(cc(ccc1C)[C@H](N)CC)F.Cl
• Canonical SMILES: CC[C@H](c1ccc(c(c1)F)C)N.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-3-10(12)8-5-4-7(2)9(11)6-8;/h4-6,10H,3,12H2,1-2H3;1H/t10-;/m1./s1
• InChIKey: CWKFVOFWZXWRDE-HNCPQSOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(3-fluoro-4-methylphenyl)propan-1-amine hydrochloride
• IUPAC Traditional name: (1R)-1-(3-fluoro-4-methylphenyl)propan-1-amine hydrochloride
• Synonyms: (1R)-1-(3-fluoro-4-methylphenyl)propan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD16293367
• PubChem SID: 164302365
• PubChem CID: 53484784

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3070544
• LogD (pH = 7.4): 0.50663286
• Log P: 2.694235
• Molar Refractivity: 48.7318 cm^3
• Polarizability: 18.788372 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 2.574

Product Information

• Purity: 95%