1-(4-chlorophenyl)-N-ethylmethanimine oxide

C9H10ClNO — CID 15618879

IUPAC1-(4-chlorophenyl)-N-ethylmethanimine oxide
SMILESCC/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-11(12)7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7-
InChIKeyYWQQNCPPPSHTKG-XFFZJAGNSA-N
MW183.64 g/mol
LogP2.29
Rot. Bonds2

About 1-(4-chlorophenyl)-N-ethylmethanimine oxide

1-(4-chlorophenyl)-N-ethylmethanimine oxide (PubChem CID 15618879) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethylmethanimine oxide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethylmethanimine oxide
PubChem CID15618879
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(4-chlorophenyl)-N-ethylmethanimine oxide
SMILESCC/[N+]([O-])=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-11(12)7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7-
InChIKeyYWQQNCPPPSHTKG-XFFZJAGNSA-N
XLogP2.29
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.29
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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Related Compounds

1-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]methanimine oxide
CID 5221437
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide
CID 11451493
N-(4-bromophenyl)-1-(4-chlorophenyl)methanimine oxide
CID 72947617
1-(4-chlorophenyl)-N-(2-hydroxyphenyl)methanimine oxide
CID 88774491
1-(4-chlorophenyl)-N-ethylmethanimine
CID 12927004
1-chloro-4-ethenylbenzene;ethanol
CID 175389019
N-(4-chlorophenyl)-1-(4-methoxycarbonylphenyl)methanimine oxide
CID 4548622
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
CID 102390527
1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841
1-(4-chlorophenyl)-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide
CID 3591620

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethylmethanimine oxide?
The IUPAC name of 1-(4-chlorophenyl)-N-ethylmethanimine oxide (CID 15618879) is 1-(4-chlorophenyl)-N-ethylmethanimine oxide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethylmethanimine oxide?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethylmethanimine oxide is CC/[N+]([O-])=C/c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethylmethanimine oxide?
The InChIKey is YWQQNCPPPSHTKG-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-11(12)7-8-3-5-9(10)6-4-8/h3-7H,2H2,1H3/b11-7-.
What are the key properties of 1-(4-chlorophenyl)-N-ethylmethanimine oxide?
1-(4-chlorophenyl)-N-ethylmethanimine oxide has a molecular weight of 183.64 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethylmethanimine oxide is sourced from PubChem (CID 15618879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).