N-ethyl-4-methoxybenzeneamine oxide

C9H13NO2 — CID 163504281

IUPACN-ethyl-4-methoxybenzeneamine oxide
SMILESCC[NH+]([O-])c1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyCXGXYKSRTZFPNM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.73
Rot. Bonds3

About N-ethyl-4-methoxybenzeneamine oxide

N-ethyl-4-methoxybenzeneamine oxide (PubChem CID 163504281) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-ethyl-4-methoxybenzeneamine oxide.

Molecular Properties

Compound NameN-ethyl-4-methoxybenzeneamine oxide
PubChem CID163504281
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-ethyl-4-methoxybenzeneamine oxide
SMILESCC[NH+]([O-])c1ccc(OC)cc1
InChIInChI=1S/C9H13NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyCXGXYKSRTZFPNM-UHFFFAOYSA-N
XLogP0.73
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-methylbenzene;propane
CID 142064987
(4-methoxyphenyl)(113C)methyl-trimethylsilane
CID 101034579
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180
1-methoxy-4-[(Z)-2-(4-methoxyphenyl)pent-2-en-3-yl]benzene
CID 13119213
bis(4-methoxyphenyl) propanedioate
CID 12000137
[4-(4-methoxyphenoxy)phenyl]borane
CID 88897158
(4-methoxyphenyl)-methyl-oxoazanium
CID 143688246
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxybenzeneamine oxide?
The IUPAC name of N-ethyl-4-methoxybenzeneamine oxide (CID 163504281) is N-ethyl-4-methoxybenzeneamine oxide.
What is the SMILES notation for N-ethyl-4-methoxybenzeneamine oxide?
The canonical SMILES for N-ethyl-4-methoxybenzeneamine oxide is CC[NH+]([O-])c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-methoxybenzeneamine oxide?
The InChIKey is CXGXYKSRTZFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7,10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-methoxybenzeneamine oxide?
N-ethyl-4-methoxybenzeneamine oxide has a molecular weight of 167.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxybenzeneamine oxide is sourced from PubChem (CID 163504281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).