4-diphenylphosphoryl-N-ethylaniline

C20H20NOP — CID 4077737

IUPAC4-diphenylphosphoryl-N-ethylaniline
SMILESCCNc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NOP/c1-2-21-17-13-15-20(16-14-17)23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyCLQLLVWDGZKNKA-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.76
Rot. Bonds5

About 4-diphenylphosphoryl-N-ethylaniline

4-diphenylphosphoryl-N-ethylaniline (PubChem CID 4077737) has the molecular formula C20H20NOP and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-diphenylphosphoryl-N-ethylaniline.

Molecular Properties

Compound Name4-diphenylphosphoryl-N-ethylaniline
PubChem CID4077737
Molecular FormulaC20H20NOP
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-diphenylphosphoryl-N-ethylaniline
SMILESCCNc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H20NOP/c1-2-21-17-13-15-20(16-14-17)23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3
InChIKeyCLQLLVWDGZKNKA-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-N-ethylaniline?
The IUPAC name of 4-diphenylphosphoryl-N-ethylaniline (CID 4077737) is 4-diphenylphosphoryl-N-ethylaniline.
What is the SMILES notation for 4-diphenylphosphoryl-N-ethylaniline?
The canonical SMILES for 4-diphenylphosphoryl-N-ethylaniline is CCNc1ccc(P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-diphenylphosphoryl-N-ethylaniline?
The InChIKey is CLQLLVWDGZKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NOP/c1-2-21-17-13-15-20(16-14-17)23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,21H,2H2,1H3.
What are the key properties of 4-diphenylphosphoryl-N-ethylaniline?
4-diphenylphosphoryl-N-ethylaniline has a molecular weight of 321.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-N-ethylaniline is sourced from PubChem (CID 4077737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).