N-(oxiran-2-ylmethyl)-N-phenylaniline

• ChemBase ID: 121882
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: O1C(C1)CN(c1ccccc1)c1ccccc1
• Canonical SMILES: O1CC1CN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15NO/c1-3-7-13(8-4-1)16(11-15-12-17-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2
• InChIKey: ZURJDMADOBDUGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxiran-2-ylmethyl)-N-phenylaniline
• IUPAC Traditional name: N-(oxiran-2-ylmethyl)-N-phenylaniline
• Synonyms: N-(oxiran-2-ylmethyl)-N-phenylaniline

Database IDs

• PubChem SID: 162216235
• PubChem CID: 3491386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4780974
• LogD (pH = 7.4): 3.4781141
• Log P: 3.4781144
• Molar Refractivity: 68.1856 cm^3
• Polarizability: 26.575989 Å^3
• Polar Surface Area: 15.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true