1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide

C15H14ClNO — CID 88775528

IUPAC1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide
SMILESCCc1ccc(C=[N+]([O-])c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO/c1-2-12-8-9-13(15(16)10-12)11-17(18)14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyCKWUTTZTUFRIKH-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.16
Rot. Bonds3

About 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide

1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide (PubChem CID 88775528) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide
PubChem CID88775528
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide
SMILESCCc1ccc(C=[N+]([O-])c2ccccc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO/c1-2-12-8-9-13(15(16)10-12)11-17(18)14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyCKWUTTZTUFRIKH-UHFFFAOYSA-N
XLogP4.16
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide (CID 88775528) is 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide is CCc1ccc(C=[N+]([O-])c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide?
The InChIKey is CKWUTTZTUFRIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-2-12-8-9-13(15(16)10-12)11-17(18)14-6-4-3-5-7-14/h3-11H,2H2,1H3.
What are the key properties of 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide?
1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide has a molecular weight of 259.74 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethylphenyl)-N-phenylmethanimine oxide is sourced from PubChem (CID 88775528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).