[1-(2,5-dimethoxyphenyl)propan-2-yl](methyl)amine

• ChemBase ID: 128347
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: O(c1ccc(OC)cc1CC(NC)C)C
• Canonical SMILES: CNC(Cc1cc(OC)ccc1OC)C
• InChI: InChI=1S/C12H19NO2/c1-9(13-2)7-10-8-11(14-3)5-6-12(10)15-4/h5-6,8-9,13H,7H2,1-4H3
• InChIKey: RSDBPMOXIPCTPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,5-dimethoxyphenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: methyl-dma
• Synonyms: Methyl-DMA

Database IDs

• CAS Number: 54687-43-3
• PubChem SID: 162222655
• PubChem CID: 3048401
• Chemspider ID: 2310630
• Wikipedia Title: Methyl-DMA

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.29688
• LogD (pH = 7.4): -0.58533394
• Log P: 1.9214883
• Molar Refractivity: 61.4062 cm^3
• Polarizability: 24.179579 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true