{2-[(4-fluorophenyl)amino]ethyl}(2-methoxyethyl)amine dihydrochloride

• ChemBase ID: 272500
• Molecular Formular: C11H19Cl2FN2O
• Molecular Mass: 285.1857632
• Monoisotopic Mass: 284.08584682
• SMILES: c1(NCCNCCOC)ccc(F)cc1.Cl.Cl
• Canonical SMILES: COCCNCCNc1ccc(cc1)F.Cl.Cl
• InChI: InChI=1S/C11H17FN2O.2ClH/c1-15-9-8-13-6-7-14-11-4-2-10(12)3-5-11;;/h2-5,13-14H,6-9H2,1H3;2*1H
• InChIKey: NHIXUHCIBMUFPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-fluorophenyl)amino]ethyl}(2-methoxyethyl)amine dihydrochloride
• IUPAC Traditional name: {2-[(4-fluorophenyl)amino]ethyl}(2-methoxyethyl)amine dihydrochloride
• Synonyms: {2-[(4-fluorophenyl)amino]ethyl}(2-methoxyethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18380701
• PubChem SID: 164328410
• PubChem CID: 50988386

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8791435
• LogD (pH = 7.4): -0.43679413
• Log P: 1.177347
• Molar Refractivity: 60.2361 cm^3
• Polarizability: 22.553778 Å^3
• Polar Surface Area: 33.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 1.991

Product Information

• Purity: 95%