1-(2,3-dimethoxyphenyl)propan-2-amine

• ChemBase ID: 127070
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: O(c1c(cccc1OC)CC(N)C)C
• Canonical SMILES: COc1c(cccc1OC)CC(N)C
• InChI: InChI=1S/C11H17NO2/c1-8(12)7-9-5-4-6-10(13-2)11(9)14-3/h4-6,8H,7,12H2,1-3H3
• InChIKey: DHLWJXGSZDJWKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dimethoxyphenyl)propan-2-amine
• IUPAC Traditional name: dimethoxyamphetamine
• Synonyms: Dimethoxyamphetamine

Database IDs

• PubChem SID: 162221393
• PubChem CID: 91255
• CHEMBL: 280855
• Chemspider ID: 82404
• Wikipedia Title: Dimethoxyamphetamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5266619
• LogD (pH = 7.4): -0.91425365
• Log P: 1.4889079
• Molar Refractivity: 56.6316 cm^3
• Polarizability: 22.338411 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true