[3-(4-fluorophenoxy)propyl](methyl)amine hydrochloride

• ChemBase ID: 257148
• Molecular Formular: C10H15ClFNO
• Molecular Mass: 219.6836032
• Monoisotopic Mass: 219.08262001
• SMILES: c1(F)ccc(cc1)OCCCNC.Cl
• Canonical SMILES: CNCCCOc1ccc(cc1)F.Cl
• InChI: InChI=1S/C10H14FNO.ClH/c1-12-7-2-8-13-10-5-3-9(11)4-6-10;/h3-6,12H,2,7-8H2,1H3;1H
• InChIKey: CUYKECGFWPZOHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-fluorophenoxy)propyl](methyl)amine hydrochloride
• IUPAC Traditional name: [3-(4-fluorophenoxy)propyl](methyl)amine hydrochloride
• Synonyms: N-[3-(4-fluorophenoxy)propyl]-N-methylamine hydrochloride

Database IDs

• MDL Number: MFCD11099593
• PubChem SID: 164313058
• PubChem CID: 42919574

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5696962
• LogD (pH = 7.4): -0.93996596
• Log P: 1.6538328
• Molar Refractivity: 50.3274 cm^3
• Polarizability: 19.550392 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 2.213

Product Information

• Purity: 95%