N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine

• ChemBase ID: 255293
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(c(ccc(c1)OC)OC)CNC1CC1
• Canonical SMILES: COc1ccc(cc1CNC1CC1)OC
• InChI: InChI=1S/C12H17NO2/c1-14-11-5-6-12(15-2)9(7-11)8-13-10-3-4-10/h5-7,10,13H,3-4,8H2,1-2H3
• InChIKey: MXVSAODVABXUET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
• IUPAC Traditional name: N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
• Synonyms: N-(2,5-dimethoxybenzyl)cyclopropanamine

Database IDs

• MDL Number: MFCD09740511
• PubChem SID: 164311203
• PubChem CID: 16793693

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2099315
• LogD (pH = 7.4): 0.41433397
• Log P: 1.6818167
• Molar Refractivity: 59.4436 cm^3
• Polarizability: 23.521847 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.872

Product Information

• Purity: 95%