N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide

C18H17IN2O2 — CID 163631009

IUPACN-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide
SMILES[I-].[O-][NH+](c1ccccc1)[NH+](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N2O2.HI/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15,19-20H;1H/q+1;/p-1
InChIKeyJDDFFAFULBNNHT-UHFFFAOYSA-M
MW420.25 g/mol
LogP-1.17
Rot. Bonds5

About N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide

N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide (PubChem CID 163631009) has the molecular formula C18H17IN2O2 and a molecular weight of 420.25 g/mol. Its IUPAC name is N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide.

Molecular Properties

Compound NameN-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide
PubChem CID163631009
Molecular FormulaC18H17IN2O2
Molecular Weight420.25 g/mol
Exact Mass420.03
IUPAC NameN-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide
SMILES[I-].[O-][NH+](c1ccccc1)[NH+](Oc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N2O2.HI/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15,19-20H;1H/q+1;/p-1
InChIKeyJDDFFAFULBNNHT-UHFFFAOYSA-M
XLogP-1.17
TPSA41.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.25
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-phenoxyphenyl)phenoxy]benzeneamine oxide
CID 163966965
N-methylbenzeneamine oxide
CID 87928145
(4-phenoxyphenyl)-diphenylazanium
CID 163615593
phenoxybismuthane
CID 172997794
CID 173029563
CID 173029563
diphenoxytin(2+)
CID 66896971
anisole;hydrochloride
CID 158800007
diphenoxytin(2+) dichloride
CID 66896970
triphenoxyphosphanium iodide
CID 19082624
CID 159259752
CID 159259752
iron;phenoxybenzene
CID 174434720
azane;phenylperoxybenzene
CID 174490395

Frequently Asked Questions

What is the IUPAC name of N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide?
The IUPAC name of N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide (CID 163631009) is N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide.
What is the SMILES notation for N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide?
The canonical SMILES for N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide is [I-].[O-][NH+](c1ccccc1)[NH+](Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide?
The InChIKey is JDDFFAFULBNNHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17N2O2.HI/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22-18-14-8-3-9-15-18;/h1-15,19-20H;1H/q+1;/p-1.
What are the key properties of N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide?
N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide has a molecular weight of 420.25 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenoxy(phenyl)azaniumyl]benzeneamine oxide iodide is sourced from PubChem (CID 163631009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).