4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline

C24H28NO3P — CID 170420991

IUPAC4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
SMILESCCOP(=O)(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)OCC
InChIInChI=1S/C24H28NO3P/c1-3-27-29(26,28-4-2)20-19-21-15-17-24(18-16-21)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
InChIKeyONMCWMHWOTXJIH-UHFFFAOYSA-N
MW409.47 g/mol
LogP6.97
Rot. Bonds10

About 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline

4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline (PubChem CID 170420991) has the molecular formula C24H28NO3P and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
PubChem CID170420991
Molecular FormulaC24H28NO3P
Molecular Weight409.47 g/mol
Exact Mass409.18
IUPAC Name4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline
SMILESCCOP(=O)(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)OCC
InChIInChI=1S/C24H28NO3P/c1-3-27-29(26,28-4-2)20-19-21-15-17-24(18-16-21)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3
InChIKeyONMCWMHWOTXJIH-UHFFFAOYSA-N
XLogP6.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphorylethylbenzene
CID 3448525
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
2-[ethoxy(methyl)phosphoryl]ethylbenzene
CID 141455877
5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
CID 88888038
2-[ethoxy(ethyl)phosphoryl]oxyethylbenzene
CID 87083912
6-[4-(N-phenylanilino)phenyl]hexylphosphonic acid
CID 164745604
2-(2-diethoxyphosphorylethyl)pyridine
CID 11128503
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
4-octadecyl-N,N-diphenylaniline
CID 162035815
N-[4-[2-[4-(diethoxyphosphorylmethyl)phenyl]ethenyl]phenyl]-2-ethyl-6-methyl-N-phenylaniline
CID 89327832
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517

Frequently Asked Questions

What is the IUPAC name of 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline?
The IUPAC name of 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline (CID 170420991) is 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline is CCOP(=O)(CCc1ccc(N(c2ccccc2)c2ccccc2)cc1)OCC.
What is the InChIKey of 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline?
The InChIKey is ONMCWMHWOTXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO3P/c1-3-27-29(26,28-4-2)20-19-21-15-17-24(18-16-21)25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18H,3-4,19-20H2,1-2H3.
What are the key properties of 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline?
4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline has a molecular weight of 409.47 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-diethoxyphosphorylethyl)-N,N-diphenylaniline is sourced from PubChem (CID 170420991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).