(oxolan-2-ylmethyl)(3-phenylprop-2-yn-1-yl)amine

• ChemBase ID: 312171
• Molecular Formular: C14H17NO
• Molecular Mass: 215.29088
• Monoisotopic Mass: 215.13101417
• SMILES: C(#CCNCC1OCCC1)c1ccccc1
• Canonical SMILES: C1COC(C1)CNCC#Cc1ccccc1
• InChI: InChI=1S/C14H17NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-3,6-7,14-15H,5,9-12H2
• InChIKey: MYBDHXSMSSJURH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)(3-phenylprop-2-yn-1-yl)amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)(3-phenylprop-2-yn-1-yl)amine
• Synonyms: (3-phenyl-2-propyn-1-yl)(tetrahydro-2-furanylmethyl)amine

Database IDs

• CAS Number: 893578-86-4
• MDL Number: MFCD07410188

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.18603788
• LogD (pH = 7.4): 1.5406404
• Log P: 2.4240277
• Molar Refractivity: 63.1926 cm^3
• Polarizability: 25.464016 Å^3
• Polar Surface Area: 21.26 Å^2