(2,2-dimethoxyethyl)[(4-ethylphenyl)methyl]amine

• ChemBase ID: 247516
• Molecular Formular: C13H21NO2
• Molecular Mass: 223.31134
• Monoisotopic Mass: 223.15722892
• SMILES: N(CC(OC)OC)Cc1ccc(cc1)CC
• Canonical SMILES: COC(CNCc1ccc(cc1)CC)OC
• InChI: InChI=1S/C13H21NO2/c1-4-11-5-7-12(8-6-11)9-14-10-13(15-2)16-3/h5-8,13-14H,4,9-10H2,1-3H3
• InChIKey: RRLAEWQPLUJNFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethoxyethyl)[(4-ethylphenyl)methyl]amine
• IUPAC Traditional name: (2,2-dimethoxyethyl)[(4-ethylphenyl)methyl]amine
• Synonyms: (2,2-dimethoxyethyl)[(4-ethylphenyl)methyl]amine

Database IDs

• MDL Number: MFCD12148396
• PubChem SID: 164303426
• PubChem CID: 60657377

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.042860452
• LogD (pH = 7.4): 1.6468248
• Log P: 2.7215118
• Molar Refractivity: 65.7728 cm^3
• Polarizability: 26.053593 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.382

Product Information

• Purity: 95%