N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 709044
• Molecular Formular: C16H19NOS
• Molecular Mass: 273.39316
• Monoisotopic Mass: 273.11873523
• SMILES: c1(sccc1)C(CNC1Cc2c(C1)cccc2)OC
• Canonical SMILES: COC(c1cccs1)CNC1Cc2c(C1)cccc2
• InChI: InChI=1S/C16H19NOS/c1-18-15(16-7-4-8-19-16)11-17-14-9-12-5-2-3-6-13(12)10-14/h2-8,14-15,17H,9-11H2,1H3
• InChIKey: FJCXVQITRYDAOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-[2-methoxy-2-(thiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
• Synonyms: 2,3-dihydro-1H-inden-2-yl[2-methoxy-2-(2-thienyl)ethyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.41489354
• LogD (pH = 7.4): 1.593162
• Log P: 3.5700574
• Molar Refractivity: 79.257 cm^3
• Polarizability: 30.956503 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.01
• LOG S: -2.75
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5