4-diethoxyphosphoryl-N-ethylaniline

C12H20NO3P — CID 23415640

IUPAC4-diethoxyphosphoryl-N-ethylaniline
SMILESCCNc1ccc(P(=O)(OCC)OCC)cc1
InChIInChI=1S/C12H20NO3P/c1-4-13-11-7-9-12(10-8-11)17(14,15-5-2)16-6-3/h7-10,13H,4-6H2,1-3H3
InChIKeyOPUGNSCZIBETQR-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.01
Rot. Bonds7

About 4-diethoxyphosphoryl-N-ethylaniline

4-diethoxyphosphoryl-N-ethylaniline (PubChem CID 23415640) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-N-ethylaniline.

Molecular Properties

Compound Name4-diethoxyphosphoryl-N-ethylaniline
PubChem CID23415640
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name4-diethoxyphosphoryl-N-ethylaniline
SMILESCCNc1ccc(P(=O)(OCC)OCC)cc1
InChIInChI=1S/C12H20NO3P/c1-4-13-11-7-9-12(10-8-11)17(14,15-5-2)16-6-3/h7-10,13H,4-6H2,1-3H3
InChIKeyOPUGNSCZIBETQR-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-N-ethylaniline?
The IUPAC name of 4-diethoxyphosphoryl-N-ethylaniline (CID 23415640) is 4-diethoxyphosphoryl-N-ethylaniline.
What is the SMILES notation for 4-diethoxyphosphoryl-N-ethylaniline?
The canonical SMILES for 4-diethoxyphosphoryl-N-ethylaniline is CCNc1ccc(P(=O)(OCC)OCC)cc1.
What is the InChIKey of 4-diethoxyphosphoryl-N-ethylaniline?
The InChIKey is OPUGNSCZIBETQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-4-13-11-7-9-12(10-8-11)17(14,15-5-2)16-6-3/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 4-diethoxyphosphoryl-N-ethylaniline?
4-diethoxyphosphoryl-N-ethylaniline has a molecular weight of 257.27 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-N-ethylaniline is sourced from PubChem (CID 23415640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).