3-amino-1-(3-methylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride

• ChemBase ID: 242917
• Molecular Formular: C14H21ClN2O2
• Molecular Mass: 284.78174
• Monoisotopic Mass: 284.1291556
• SMILES: C(=O)(N1C(COCC1)C)CC(c1ccccc1)N.Cl
• Canonical SMILES: CC1COCCN1C(=O)CC(c1ccccc1)N.Cl
• InChI: InChI=1S/C14H20N2O2.ClH/c1-11-10-18-8-7-16(11)14(17)9-13(15)12-5-3-2-4-6-12;/h2-6,11,13H,7-10,15H2,1H3;1H
• InChIKey: XSFFCJXRHBCXES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-1-(3-methylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride
• IUPAC Traditional name: 3-amino-1-(3-methylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride
• Synonyms: 3-amino-1-(3-methylmorpholin-4-yl)-3-phenylpropan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22578543
• PubChem SID: 164298827
• PubChem CID: 71757112

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.085307
• LogD (pH = 7.4): -0.5777288
• Log P: 0.71226144
• Molar Refractivity: 70.0945 cm^3
• Polarizability: 27.754131 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.173

Product Information

• Purity: 95%