(2-methoxyethyl)[(4-methoxyphenyl)methyl]amine

• ChemBase ID: 58156
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(ccc(c1)CNCCOC)OC
• Canonical SMILES: COCCNCc1ccc(cc1)OC
• InChI: InChI=1S/C11H17NO2/c1-13-8-7-12-9-10-3-5-11(14-2)6-4-10/h3-6,12H,7-9H2,1-2H3
• InChIKey: RXQJAXYUATYDOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(4-methoxyphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(4-methoxyphenyl)methyl]amine
• Synonyms: (4-Methoxybenzyl)(2-methoxyethyl)amine; (4-Methoxybenzyl)(2-methoxyethyl)amine

Database IDs

• CAS Number: 103464-79-5
• MDL Number: MFCD01655155
• PubChem SID: 162062919
• PubChem CID: 3285873

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7273729
• LogD (pH = 7.4): -0.2823572
• Log P: 1.3269479
• Molar Refractivity: 56.8127 cm^3
• Polarizability: 22.427645 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C11H17NO2

DETAILS

Sigma Aldrich - CBR00202

Other Notes
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Legal Information
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