4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]butan-1-one

• ChemBase ID: 726682
• Molecular Formular: C14H19ClN2O2
• Molecular Mass: 282.76586
• Monoisotopic Mass: 282.11350554
• SMILES: N1(C(=O)CCCN)CC(c2ccc(cc2)Cl)OCC1
• Canonical SMILES: NCCCC(=O)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C14H19ClN2O2/c15-12-5-3-11(4-6-12)13-10-17(8-9-19-13)14(18)2-1-7-16/h3-6,13H,1-2,7-10,16H2
• InChIKey: YJNIPSFJTFWNCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]butan-1-one
• IUPAC Traditional name: 4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]butan-1-one
• Synonyms: 4-[2-(4-chlorophenyl)morpholin-4-yl]-4-oxobutan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8298639
• LogD (pH = 7.4): -1.269751
• Log P: 1.1883923
• Molar Refractivity: 75.2355 cm^3
• Polarizability: 29.628185 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.97
• LOG S: -2.94
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 4