3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride

• ChemBase ID: 243302
• Molecular Formular: C15H23ClN2O2
• Molecular Mass: 298.80832
• Monoisotopic Mass: 298.14480567
• SMILES: N1(C(=O)CC(c2ccccc2)N)CC(OC(C1)C)C.Cl
• Canonical SMILES: NC(c1ccccc1)CC(=O)N1CC(C)OC(C1)C.Cl
• InChI: InChI=1S/C15H22N2O2.ClH/c1-11-9-17(10-12(2)19-11)15(18)8-14(16)13-6-4-3-5-7-13;/h3-7,11-12,14H,8-10,16H2,1-2H3;1H
• InChIKey: SUDDHBSVDMQIJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride
• IUPAC Traditional name: 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride
• Synonyms: 3-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22578641
• PubChem SID: 164299212
• PubChem CID: 71757219

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6687341
• LogD (pH = 7.4): -0.16115876
• Log P: 1.1288365
• Molar Refractivity: 74.5133 cm^3
• Polarizability: 29.596304 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.692

Product Information

• Purity: 95%