(oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 312161
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: O1C(CNC/C=C/c2ccccc2)CCC1
• Canonical SMILES: C(/C=C/c1ccccc1)NCC1CCCO1
• InChI: InChI=1S/C14H19NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-4,6-8,14-15H,5,9-12H2/b8-4+
• InChIKey: GCEKGRFKIOBVDD-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: (oxolan-2-ylmethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: (3-phenyl-2-propen-1-yl)(tetrahydro-2-furanylmethyl)amine hydrochloride

Database IDs

• CAS Number: 869945-34-6
• MDL Number: MFCD07106345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.47710752
• LogD (pH = 7.4): 0.99569356
• Log P: 2.5600994
• Molar Refractivity: 67.8793 cm^3
• Polarizability: 26.420916 Å^3
• Polar Surface Area: 21.26 Å^2