(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine

C17H19NO — CID 138652668

IUPAC(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccccc1-c1cc(C)ccc1C
InChIInChI=1S/C17H19NO/c1-12-9-10-13(2)17(11-12)16-8-6-5-7-15(16)14(3)18-19-4/h5-11H,1-4H3/b18-14+
InChIKeyLNPDNTJGZDRBTL-NBVRZTHBSA-N
MW253.34 g/mol
LogP4.34
Rot. Bonds3

About (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine

(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine (PubChem CID 138652668) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine
PubChem CID138652668
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccccc1-c1cc(C)ccc1C
InChIInChI=1S/C17H19NO/c1-12-9-10-13(2)17(11-12)16-8-6-5-7-15(16)14(3)18-19-4/h5-11H,1-4H3/b18-14+
InChIKeyLNPDNTJGZDRBTL-NBVRZTHBSA-N
XLogP4.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine (CID 138652668) is (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine is CO/N=C(\C)c1ccccc1-c1cc(C)ccc1C.
What is the InChIKey of (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine?
The InChIKey is LNPDNTJGZDRBTL-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-9-10-13(2)17(11-12)16-8-6-5-7-15(16)14(3)18-19-4/h5-11H,1-4H3/b18-14+.
What are the key properties of (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine?
(E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine has a molecular weight of 253.34 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-(2,5-dimethylphenyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 138652668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).