1-(3,5-dimethoxyphenyl)cyclopropan-1-amine

• ChemBase ID: 799074
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: C1(CC1)(N)c1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1)C1(N)CC1
• InChI: InChI=1S/C11H15NO2/c1-13-9-5-8(11(12)3-4-11)6-10(7-9)14-2/h5-7H,3-4,12H2,1-2H3
• InChIKey: JKLSQESFRNWDBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3,5-dimethoxyphenyl)cyclopropan-1-amine
• Synonyms: 1-(3,5-dimethoxyphenyl)cyclopropanamine

Database IDs

• CAS Number: 1211593-67-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.809827
• LogD (pH = 7.4): -0.83217096
• Log P: 1.173005
• Molar Refractivity: 54.5586 cm^3
• Polarizability: 21.678875 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%