2-amino-1-(2,6-dimethylmorpholin-4-yl)-2-phenylethan-1-one hydrochloride

• ChemBase ID: 260409
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: N1(C(=O)C(c2ccccc2)N)CC(OC(C1)C)C.Cl
• Canonical SMILES: NC(C(=O)N1CC(C)OC(C1)C)c1ccccc1.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-10-8-16(9-11(2)18-10)14(17)13(15)12-6-4-3-5-7-12;/h3-7,10-11,13H,8-9,15H2,1-2H3;1H
• InChIKey: LRCJMVMTHFSHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(2,6-dimethylmorpholin-4-yl)-2-phenylethan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-1-(2,6-dimethylmorpholin-4-yl)-2-phenylethanone hydrochloride
• Synonyms: 2-amino-1-(2,6-dimethylmorpholin-4-yl)-2-phenylethan-1-one hydrochloride

Database IDs

• MDL Number: MFCD12197198
• PubChem SID: 164316319
• PubChem CID: 45791576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1266334
• LogD (pH = 7.4): 0.546986
• Log P: 1.0440129
• Molar Refractivity: 69.889 cm^3
• Polarizability: 27.75291 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): 2.285

Product Information

• Purity: 95%