{1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride

• ChemBase ID: 55262
• Molecular Formular: C13H20ClFN2O
• Molecular Mass: 274.7621032
• Monoisotopic Mass: 274.12481917
• SMILES: c1(N2CCOCC2)c(cc(cc1)C(NC)C)F.Cl
• Canonical SMILES: CNC(c1ccc(c(c1)F)N1CCOCC1)C.Cl
• InChI: InChI=1S/C13H19FN2O.ClH/c1-10(15-2)11-3-4-13(12(14)9-11)16-5-7-17-8-6-16;/h3-4,9-10,15H,5-8H2,1-2H3;1H
• InChIKey: AFVOZERJPIASTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride
• IUPAC Traditional name: {1-[3-fluoro-4-(morpholin-4-yl)phenyl]ethyl}(methyl)amine hydrochloride
• Synonyms: [1-(3-Fluoro-4-morpholin-4-ylphenyl)ethyl]-methylamine hydrochloride

Database IDs

• MDL Number: MFCD18071172
• PubChem SID: 162060025
• PubChem CID: 56773526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2063841
• LogD (pH = 7.4): -0.19322605
• Log P: 1.980415
• Molar Refractivity: 67.4443 cm^3
• Polarizability: 25.501143 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false