N-diethoxyphosphorylaniline

C10H16NO3P — CID 15049

IUPACN-diethoxyphosphorylaniline
SMILESCCOP(=O)(Nc1ccccc1)OCC
InChIInChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)
InChIKeyGESBKELMKMNZLZ-UHFFFAOYSA-N
MW229.22 g/mol
LogP3.28
Rot. Bonds6

About N-diethoxyphosphorylaniline

N-diethoxyphosphorylaniline (PubChem CID 15049) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is N-diethoxyphosphorylaniline.

Molecular Properties

Compound NameN-diethoxyphosphorylaniline
PubChem CID15049
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC NameN-diethoxyphosphorylaniline
SMILESCCOP(=O)(Nc1ccccc1)OCC
InChIInChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12)
InChIKeyGESBKELMKMNZLZ-UHFFFAOYSA-N
XLogP3.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphorylaniline?
The IUPAC name of N-diethoxyphosphorylaniline (CID 15049) is N-diethoxyphosphorylaniline.
What is the SMILES notation for N-diethoxyphosphorylaniline?
The canonical SMILES for N-diethoxyphosphorylaniline is CCOP(=O)(Nc1ccccc1)OCC.
What is the InChIKey of N-diethoxyphosphorylaniline?
The InChIKey is GESBKELMKMNZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)11-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-diethoxyphosphorylaniline?
N-diethoxyphosphorylaniline has a molecular weight of 229.22 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphorylaniline is sourced from PubChem (CID 15049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).