2-(2,4-dimethoxyphenyl)ethan-1-amine

• ChemBase ID: 265552
• Molecular Formular: C10H15NO2
• Molecular Mass: 181.2316
• Monoisotopic Mass: 181.11027873
• SMILES: c1(cc(ccc1CCN)OC)OC
• Canonical SMILES: NCCc1ccc(cc1OC)OC
• InChI: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)10(7-9)13-2/h3-4,7H,5-6,11H2,1-2H3
• InChIKey: YDTQAPOROITHCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: 2-(2,4-dimethoxyphenyl)ethanamine
• Synonyms: 2-(2,4-dimethoxyphenyl)ethan-1-amine; 2-(2,4-dimethoxyphenyl)ethanamine

Database IDs

• CAS Number: 15806-29-8
• MDL Number: MFCD00599244
• PubChem SID: 164321462
• PubChem CID: 417604

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9346471
• LogD (pH = 7.4): -1.1895523
• Log P: 1.072333
• Molar Refractivity: 52.2128 cm^3
• Polarizability: 20.493343 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.441

Product Information

• Purity: 95%