diphenylmethanimine;ethyl acetate

C17H19NO2 — CID 174383582

IUPACdiphenylmethanimine;ethyl acetate
SMILESCCOC(C)=O.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11N.C4H8O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-6-4(2)5/h1-10,14H;3H2,1-2H3
InChIKeyOZIHMHOSZYHRMU-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.67
Rot. Bonds3

About diphenylmethanimine;ethyl acetate

diphenylmethanimine;ethyl acetate (PubChem CID 174383582) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is diphenylmethanimine;ethyl acetate.

Molecular Properties

Compound Namediphenylmethanimine;ethyl acetate
PubChem CID174383582
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namediphenylmethanimine;ethyl acetate
SMILESCCOC(C)=O.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11N.C4H8O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-6-4(2)5/h1-10,14H;3H2,1-2H3
InChIKeyOZIHMHOSZYHRMU-UHFFFAOYSA-N
XLogP3.67
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenylmethanimine;ethyl acetate?
The IUPAC name of diphenylmethanimine;ethyl acetate (CID 174383582) is diphenylmethanimine;ethyl acetate.
What is the SMILES notation for diphenylmethanimine;ethyl acetate?
The canonical SMILES for diphenylmethanimine;ethyl acetate is CCOC(C)=O.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanimine;ethyl acetate?
The InChIKey is OZIHMHOSZYHRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N.C4H8O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-6-4(2)5/h1-10,14H;3H2,1-2H3.
What are the key properties of diphenylmethanimine;ethyl acetate?
diphenylmethanimine;ethyl acetate has a molecular weight of 269.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanimine;ethyl acetate is sourced from PubChem (CID 174383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).