(2-methoxyethyl)(3-phenylprop-2-yn-1-yl)amine

• ChemBase ID: 312547
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: C(#CCNCCOC)c1ccccc1
• Canonical SMILES: COCCNCC#Cc1ccccc1
• InChI: InChI=1S/C12H15NO/c1-14-11-10-13-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13H,9-11H2,1H3
• InChIKey: QHOZGGYQGXHFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(3-phenylprop-2-yn-1-yl)amine
• IUPAC Traditional name: (2-methoxyethyl)(3-phenylprop-2-yn-1-yl)amine
• Synonyms: (2-methoxyethyl)(3-phenyl-2-propyn-1-yl)amine

Database IDs

• CAS Number: 889949-89-7
• MDL Number: MFCD07410391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50042665
• LogD (pH = 7.4): 1.2335554
• Log P: 1.9584631
• Molar Refractivity: 55.9814 cm^3
• Polarizability: 22.51029 Å^3
• Polar Surface Area: 21.26 Å^2