[2-(2H-1,3-benzodioxol-5-yl)-1-cyclopropylethyl](methyl)amine

• ChemBase ID: 130108
• Molecular Formular: C13H17NO2
• Molecular Mass: 219.27958
• Monoisotopic Mass: 219.12592879
• SMILES: C1CC1C(NC)Cc1cc2OCOc2cc1
• Canonical SMILES: CNC(C1CC1)Cc1ccc2c(c1)OCO2
• InChI: InChI=1S/C13H17NO2/c1-14-11(10-3-4-10)6-9-2-5-12-13(7-9)16-8-15-12/h2,5,7,10-11,14H,3-4,6,8H2,1H3
• InChIKey: DNROCNZQNQSVOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2H-1,3-benzodioxol-5-yl)-1-cyclopropylethyl](methyl)amine
• IUPAC Traditional name: [2-(2H-1,3-benzodioxol-5-yl)-1-cyclopropylethyl](methyl)amine
• Synonyms: UWA-101

Database IDs

• PubChem SID: 162224393
• PubChem CID: 17756669
• Chemspider ID: 27444374
• Wikipedia Title: UWA-101

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.946673
• LogD (pH = 7.4): -0.46241167
• Log P: 2.2838337
• Molar Refractivity: 61.4401 cm^3
• Polarizability: 24.55798 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true