1-methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride

• ChemBase ID: 246127
• Molecular Formular: C11H18ClNO2
• Molecular Mass: 231.71912
• Monoisotopic Mass: 231.1026065
• SMILES: c1(C(C(N)C)OC)ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C(C(N)C)OC.Cl
• InChI: InChI=1S/C11H17NO2.ClH/c1-8(12)11(14-3)9-4-6-10(13-2)7-5-9;/h4-8,11H,12H2,1-3H3;1H
• InChIKey: UYBMVWYBUNMHJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride
• Synonyms: 1-methoxy-1-(4-methoxyphenyl)propan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD23144225
• PubChem SID: 164302037
• PubChem CID: 71757887

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5920858
• LogD (pH = 7.4): -0.49257088
• Log P: 1.3707095
• Molar Refractivity: 56.1271 cm^3
• Polarizability: 22.425127 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.354

Product Information

• Purity: 95%