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

• ChemBase ID: 18409
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(OC)cccc1)CNCCOC
• Canonical SMILES: COCCNCc1ccccc1OC
• InChI: InChI=1S/C11H17NO2/c1-13-8-7-12-9-10-5-3-4-6-11(10)14-2/h3-6,12H,7-9H2,1-2H3
• InChIKey: HMVXYUDGGRXXAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2-methoxyphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(2-methoxyphenyl)methyl]amine
• Synonyms: (2-methoxybenzyl)(2-methoxyethyl)amine; (2-Methoxy-benzyl)-(2-methoxy-ethyl)-amine

Database IDs

• CAS Number: 827328-30-3
• MDL Number: MFCD05863676
• PubChem SID: 160981716
• PubChem CID: 3872212

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4848069
• LogD (pH = 7.4): 0.18523672
• Log P: 1.3269479
• Molar Refractivity: 56.8127 cm^3
• Polarizability: 22.427889 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