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

• ChemBase ID: 312307
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(C)cccc1)CNCCOC
• Canonical SMILES: COCCNCc1ccccc1C
• InChI: InChI=1S/C11H17NO/c1-10-5-3-4-6-11(10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3
• InChIKey: NQMOIXUDYIQORO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(2-methylphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(2-methylphenyl)methyl]amine
• Synonyms: (2-methoxyethyl)(2-methylbenzyl)amine

Database IDs

• CAS Number: 892565-52-5
• MDL Number: MFCD07408107

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1032181
• LogD (pH = 7.4): 0.24588482
• Log P: 1.9980406
• Molar Refractivity: 55.3907 cm^3
• Polarizability: 21.696857 Å^3
• Polar Surface Area: 21.26 Å^2