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

• ChemBase ID: 143750
• Molecular Formular: C11H18ClNO2
• Molecular Mass: 231.71912
• Monoisotopic Mass: 231.1026065
• SMILES: CC(C)(c1ccc(c(c1)OC)OC)N.Cl
• Canonical SMILES: COc1cc(ccc1OC)C(N)(C)C.Cl
• InChI: InChI=1S/C11H17NO2.ClH/c1-11(2,12)8-5-6-9(13-3)10(7-8)14-4;/h5-7H,12H2,1-4H3;1H
• InChIKey: GLOVSZFRXZZMDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11841276
• PubChem SID: 162237967
• PubChem CID: 3032232

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5335351
• LogD (pH = 7.4): -0.89957047
• Log P: 1.4808234
• Molar Refractivity: 56.5148 cm^3
• Polarizability: 22.411549 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C11H18ClNO2

DETAILS

Sigma Aldrich - CBR00818

Other Notes
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Legal Information
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