1-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine

• ChemBase ID: 763605
• Molecular Formular: C14H16Cl2N2O2
• Molecular Mass: 315.19504
• Monoisotopic Mass: 314.05888312
• SMILES: N1(C(=O)C2(CC2)N)CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: O=C(C1(N)CC1)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C14H16Cl2N2O2/c15-10-2-1-9(7-11(10)16)12-8-18(5-6-20-12)13(19)14(17)3-4-14/h1-2,7,12H,3-6,8,17H2
• InChIKey: AUIQULPJFGKDOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]cyclopropan-1-amine
• Synonyms: (1-{[2-(3,4-dichlorophenyl)morpholin-4-yl]carbonyl}cyclopropyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.61993074
• LogD (pH = 7.4): 1.040158
• Log P: 1.9604747
• Molar Refractivity: 77.8369 cm^3
• Polarizability: 30.8517 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -3.12
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2