2-(2-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine

• ChemBase ID: 31917
• Molecular Formular: C12H17FN2O
• Molecular Mass: 224.2745832
• Monoisotopic Mass: 224.13249139
• SMILES: c1(C(N2CCOCC2)CN)c(F)cccc1
• Canonical SMILES: NCC(c1ccccc1F)N1CCOCC1
• InChI: InChI=1S/C12H17FN2O/c13-11-4-2-1-3-10(11)12(9-14)15-5-7-16-8-6-15/h1-4,12H,5-9,14H2
• InChIKey: GOYHVBHGFOQIQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2-fluorophenyl)-2-(morpholin-4-yl)ethanamine
• Synonyms: 2-(2-Fluoro-phenyl)-2-morpholin-4-yl-ethylamine

Database IDs

• MDL Number: MFCD09262022
• PubChem SID: 160995224
• PubChem CID: 16642754

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7646776
• LogD (pH = 7.4): -0.32335484
• Log P: 1.1016273
• Molar Refractivity: 61.5116 cm^3
• Polarizability: 24.043318 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false