[1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride

• ChemBase ID: 143934
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: CC(c1ccc(cc1)OC)NC.Cl
• Canonical SMILES: CNC(c1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)9-4-6-10(12-3)7-5-9;/h4-8,11H,1-3H3;1H
• InChIKey: XZEIXLRGIVAJMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [1-(4-methoxyphenyl)ethyl](methyl)amine hydrochloride
• Synonyms: 1-(4-Methoxyphenyl)-N-methylethanamine hydrochloride

Database IDs

• MDL Number: MFCD11841229
• PubChem SID: 162238151
• PubChem CID: 45595273

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4042537
• LogD (pH = 7.4): -0.4477749
• Log P: 1.7904984
• Molar Refractivity: 50.188 cm^3
• Polarizability: 19.9124 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C10H16ClNO

DETAILS

Sigma Aldrich - CBR00774

Other Notes
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Legal Information
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