1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide

C11H15NO2 — CID 4702383

IUPAC1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide
SMILESCCOc1cc(C=[N+](C)[O-])ccc1C
InChIInChI=1S/C11H15NO2/c1-4-14-11-7-10(8-12(3)13)6-5-9(11)2/h5-8H,4H2,1-3H3
InChIKeyXUPNBTFTBROJBA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide

1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide (PubChem CID 4702383) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide
PubChem CID4702383
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide
SMILESCCOc1cc(C=[N+](C)[O-])ccc1C
InChIInChI=1S/C11H15NO2/c1-4-14-11-7-10(8-12(3)13)6-5-9(11)2/h5-8H,4H2,1-3H3
InChIKeyXUPNBTFTBROJBA-UHFFFAOYSA-N
XLogP1.95
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.95
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-methyl-4-[(E)-2-methylsulfanylethenyl]benzene
CID 118536236
2-ethoxy-1-methyl-4-[(E)-2-methylsulfinylethenyl]benzene
CID 118536209
5-[(3-ethoxy-4-methylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168597943
N-cyclohexyl-1-(4-ethoxy-3-methoxyphenyl)methanimine oxide
CID 85044891
3-butoxy-4-methylbenzaldehyde
CID 91636264
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 4177062
(E)-3-(3,4-diethoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 966542
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-(2-methyl-5-nitrophenyl)prop-2-enamide
CID 51161619
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
N-(2,4-dimethylphenyl)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methanimine
CID 126207770
2-ethoxy-1-methoxy-4-[(Z)-2-nitroprop-1-enyl]benzene
CID 5375208

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide?
The IUPAC name of 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide (CID 4702383) is 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide is CCOc1cc(C=[N+](C)[O-])ccc1C.
What is the InChIKey of 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide?
The InChIKey is XUPNBTFTBROJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-11-7-10(8-12(3)13)6-5-9(11)2/h5-8H,4H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide?
1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide has a molecular weight of 193.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylphenyl)-N-methylmethanimine oxide is sourced from PubChem (CID 4702383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).