(3S,4R)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxyoxolan-3-amine

• ChemBase ID: 413517
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: N([C@@H]1[C@H](COC1)OCC)C1Cc2c(C1)cccc2
• Canonical SMILES: CCO[C@H]1COC[C@@H]1NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C15H21NO2/c1-2-18-15-10-17-9-14(15)16-13-7-11-5-3-4-6-12(11)8-13/h3-6,13-16H,2,7-10H2,1H3/t14-,15-/m0/s1
• InChIKey: DBAUISPYOQRELY-GJZGRUSLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S,4R)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxyoxolan-3-amine
• IUPAC Traditional name: (3S,4R)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxyoxolan-3-amine
• Synonyms: (3S*,4R*)-N-(2,3-dihydro-1H-inden-2-yl)-4-ethoxytetrahydrofuran-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8665102
• LogD (pH = 7.4): 0.6606411
• Log P: 2.1307776
• Molar Refractivity: 71.2478 cm^3
• Polarizability: 28.199343 Å^3
• Polar Surface Area: 30.49 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: 2.44
• LOG S: -2.08
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4