N-[(5-chlorofuran-2-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

• ChemBase ID: 462116
• Molecular Formular: C14H15ClN2O
• Molecular Mass: 262.7347
• Monoisotopic Mass: 262.08729079
• SMILES: N(C1CC1)(Cc1oc(cc1)Cl)Cc1ccncc1
• Canonical SMILES: Clc1ccc(o1)CN(C1CC1)Cc1ccncc1
• InChI: InChI=1S/C14H15ClN2O/c15-14-4-3-13(18-14)10-17(12-1-2-12)9-11-5-7-16-8-6-11/h3-8,12H,1-2,9-10H2
• InChIKey: SSLZIRSNHHVURE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-chlorofuran-2-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-[(5-chlorofuran-2-yl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
• Synonyms: N-[(5-chloro-2-furyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.33925927
• LogD (pH = 7.4): 1.9487679
• Log P: 2.2663097
• Molar Refractivity: 71.4644 cm^3
• Polarizability: 27.837862 Å^3
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.63
• LOG S: -1.05
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 5