2-(3,4-dimethoxyphenyl)propan-1-amine

• ChemBase ID: 275238
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(ccc(c1OC)OC)C(CN)C
• Canonical SMILES: NCC(c1ccc(c(c1)OC)OC)C
• InChI: InChI=1S/C11H17NO2/c1-8(7-12)9-4-5-10(13-2)11(6-9)14-3/h4-6,8H,7,12H2,1-3H3
• InChIKey: RRARQHPQZWUMFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)propan-1-amine
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)propan-1-amine
• Synonyms: 2-(3,4-dimethoxyphenyl)propan-1-amine

Database IDs

• MDL Number: MFCD11590270
• PubChem SID: 164331148
• PubChem CID: 171416

CALCULATED PROPERTIES

• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.573486
• LogD (pH = 7.4): -0.88197625
• Log P: 1.4373058
• Molar Refractivity: 56.6844 cm^3
• Polarizability: 22.336216 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.49

Product Information

• Purity: 95%