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

• ChemBase ID: 312480
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: N(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCNCc1ccc(cc1)C
• InChI: InChI=1S/C11H17NO/c1-10-3-5-11(6-4-10)9-12-7-8-13-2/h3-6,12H,7-9H2,1-2H3
• InChIKey: GMWZORPRRIRCIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(4-methylphenyl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)[(4-methylphenyl)methyl]amine
• Synonyms: (2-methoxyethyl)(4-methylbenzyl)amine

Database IDs

• CAS Number: 827328-61-0
• MDL Number: MFCD07408119

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0986767
• LogD (pH = 7.4): 0.26128548
• Log P: 1.9980406
• Molar Refractivity: 55.3907 cm^3
• Polarizability: 21.69659 Å^3
• Polar Surface Area: 21.26 Å^2