1,3-bis(2-fluorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 241684
• Molecular Formular: C15H16ClF2N
• Molecular Mass: 283.7440464
• Monoisotopic Mass: 283.09393364
• SMILES: c1(CC(Cc2c(F)cccc2)N)c(F)cccc1.Cl
• Canonical SMILES: NC(Cc1ccccc1F)Cc1ccccc1F.Cl
• InChI: InChI=1S/C15H15F2N.ClH/c16-14-7-3-1-5-11(14)9-13(18)10-12-6-2-4-8-15(12)17;/h1-8,13H,9-10,18H2;1H
• InChIKey: ODVMNQIWNCYEDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(2-fluorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1,3-bis(2-fluorophenyl)propan-2-amine hydrochloride
• Synonyms: 1,3-bis(2-fluorophenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22565892
• PubChem SID: 164297594
• PubChem CID: 71756838

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7403994
• LogD (pH = 7.4): 1.5034856
• Log P: 3.7459807
• Molar Refractivity: 68.757 cm^3
• Polarizability: 26.123459 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Hydrophobicity(logP): 3.446

Product Information

• Purity: 95%