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

• ChemBase ID: 312467
• Molecular Formular: C12H19NO
• Molecular Mass: 193.28536
• Monoisotopic Mass: 193.14666423
• SMILES: N(Cc1ccc(cc1)CC)CCOC
• Canonical SMILES: COCCNCc1ccc(cc1)CC
• InChI: InChI=1S/C12H19NO/c1-3-11-4-6-12(7-5-11)10-13-8-9-14-2/h4-7,13H,3,8-10H2,1-2H3
• InChIKey: SGJFUYWQUDFJDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 827328-12-1
• MDL Number: MFCD07409064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.65178084
• LogD (pH = 7.4): 0.7135922
• Log P: 2.4426093
• Molar Refractivity: 59.9917 cm^3
• Polarizability: 23.542027 Å^3
• Polar Surface Area: 21.26 Å^2