[(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride

• ChemBase ID: 260270
• Molecular Formular: C16H18ClF2N
• Molecular Mass: 297.7706264
• Monoisotopic Mass: 297.1095837
• SMILES: N(C(c1ccc(cc1)F)CC)Cc1cc(F)ccc1.Cl
• Canonical SMILES: CCC(c1ccc(cc1)F)NCc1cccc(c1)F.Cl
• InChI: InChI=1S/C16H17F2N.ClH/c1-2-16(13-6-8-14(17)9-7-13)19-11-12-4-3-5-15(18)10-12;/h3-10,16,19H,2,11H2,1H3;1H
• InChIKey: VQGKYDWVNBLCST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride
• IUPAC Traditional name: [(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride
• Synonyms: [(3-fluorophenyl)methyl][1-(4-fluorophenyl)propyl]amine hydrochloride

Database IDs

• MDL Number: MFCD12197156
• PubChem SID: 164316180
• PubChem CID: 45791533

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4652123
• LogD (pH = 7.4): 2.9693701
• Log P: 4.480569
• Molar Refractivity: 73.2942 cm^3
• Polarizability: 28.106707 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 196 - 198°C
• Hydrophobicity(logP): 3.792

Product Information

• Purity: 95%