2-(2,6-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 275436
• Molecular Formular: C14H20F2N2O
• Molecular Mass: 270.3182064
• Monoisotopic Mass: 270.15436971
• SMILES: N1(C(c2c(F)cccc2F)CN)CC(OC(C1)C)C
• Canonical SMILES: NCC(c1c(F)cccc1F)N1CC(C)OC(C1)C
• InChI: InChI=1S/C14H20F2N2O/c1-9-7-18(8-10(2)19-9)13(6-17)14-11(15)4-3-5-12(14)16/h3-5,9-10,13H,6-8,17H2,1-2H3
• InChIKey: HVFGHHOKVPKQMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,6-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
• Synonyms: 2-(2,6-difluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09732375
• PubChem SID: 164331346
• PubChem CID: 16785635

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7380734
• LogD (pH = 7.4): 0.7623759
• Log P: 2.0774794
• Molar Refractivity: 70.5656 cm^3
• Polarizability: 27.417356 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): 2.445

Product Information

• Purity: 95%