N-[(E)-dimethoxyphosphoryldiazenyl]aniline

C8H12N3O3P — CID 23264475

IUPACN-[(E)-dimethoxyphosphoryldiazenyl]aniline
SMILESCOP(=O)(/N=N/Nc1ccccc1)OC
InChIInChI=1S/C8H12N3O3P/c1-13-15(12,14-2)11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,11,12)
InChIKeyQVQBPWJDFZHIMF-UHFFFAOYSA-N
MW229.18 g/mol
LogP2.87
Rot. Bonds5

About N-[(E)-dimethoxyphosphoryldiazenyl]aniline

N-[(E)-dimethoxyphosphoryldiazenyl]aniline (PubChem CID 23264475) has the molecular formula C8H12N3O3P and a molecular weight of 229.18 g/mol. Its IUPAC name is N-[(E)-dimethoxyphosphoryldiazenyl]aniline.

Molecular Properties

Compound NameN-[(E)-dimethoxyphosphoryldiazenyl]aniline
PubChem CID23264475
Molecular FormulaC8H12N3O3P
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC NameN-[(E)-dimethoxyphosphoryldiazenyl]aniline
SMILESCOP(=O)(/N=N/Nc1ccccc1)OC
InChIInChI=1S/C8H12N3O3P/c1-13-15(12,14-2)11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,11,12)
InChIKeyQVQBPWJDFZHIMF-UHFFFAOYSA-N
XLogP2.87
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
1-Methyl-3-phenyl-1-triazene
CID 85248
Phosphoramidic acid, phenyl-, dibutyl ester
CID 99244
O,O-Diethyl N-phenylphosphoramidothioate
CID 199100
Dimethyl (3-aminophenyl)phosphonate
CID 13348403
Bis(1-methylethyl) N-phenylphosphoramidate
CID 121147
Phosphonic acid, (p-hydrazinophenyl)-
CID 3062484
3-Diethoxyphosphorylaniline
CID 284866
N-Dimethoxyphosphorylaniline
CID 185901
Diethyl anilinophosphite
CID 521336
Phosphoramidic acid, phenyl-, dipropyl ester
CID 213361
Phosphoramidic acid, phenyl-, dipentyl ester
CID 3063864

Frequently Asked Questions

What is the IUPAC name of N-[(E)-dimethoxyphosphoryldiazenyl]aniline?
The IUPAC name of N-[(E)-dimethoxyphosphoryldiazenyl]aniline (CID 23264475) is N-[(E)-dimethoxyphosphoryldiazenyl]aniline.
What is the SMILES notation for N-[(E)-dimethoxyphosphoryldiazenyl]aniline?
The canonical SMILES for N-[(E)-dimethoxyphosphoryldiazenyl]aniline is COP(=O)(/N=N/Nc1ccccc1)OC.
What is the InChIKey of N-[(E)-dimethoxyphosphoryldiazenyl]aniline?
The InChIKey is QVQBPWJDFZHIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3O3P/c1-13-15(12,14-2)11-10-9-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,9,11,12).
What are the key properties of N-[(E)-dimethoxyphosphoryldiazenyl]aniline?
N-[(E)-dimethoxyphosphoryldiazenyl]aniline has a molecular weight of 229.18 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-dimethoxyphosphoryldiazenyl]aniline is sourced from PubChem (CID 23264475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).