2-diphenylphosphanyl-N,N-diethylaniline

C22H24NP — CID 13103880

IUPAC2-diphenylphosphanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NP/c1-3-23(4-2)21-17-11-12-18-22(21)24(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3
InChIKeyBQYGJUFKIGEPCS-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.29
Rot. Bonds6

About 2-diphenylphosphanyl-N,N-diethylaniline

2-diphenylphosphanyl-N,N-diethylaniline (PubChem CID 13103880) has the molecular formula C22H24NP and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N,N-diethylaniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N,N-diethylaniline
PubChem CID13103880
Molecular FormulaC22H24NP
Molecular Weight333.42 g/mol
Exact Mass333.16
IUPAC Name2-diphenylphosphanyl-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NP/c1-3-23(4-2)21-17-11-12-18-22(21)24(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3
InChIKeyBQYGJUFKIGEPCS-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-diphenylphosphanylphenyl)-N,N'-diethylpropane-1,3-diamine
CID 12969629
N-[3-(N-acetyl-2-diphenylphosphanylanilino)propyl]-N-(2-diphenylphosphanylphenyl)acetamide
CID 12969627
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
2-diphenylphosphanyl-N-(2-diphenylphosphanyloxyethyl)-N-methylaniline
CID 102355584
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
butane;triphenylphosphane
CID 161447439
[2-[(2-diphenylphosphanylphenyl)-diethylsilyl]phenyl]-diphenylphosphane
CID 102440312
2-diphenylphosphanyl-N-methyl-N-(2-phenyldiazenylethyl)aniline
CID 138547419
2-(diethylamino)phenol;phenol
CID 174799209
2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline
CID 87445133
N,N-diethyl-2-triphenylstannylaniline
CID 159469705

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphanyl-N,N-diethylaniline?
The IUPAC name of 2-diphenylphosphanyl-N,N-diethylaniline (CID 13103880) is 2-diphenylphosphanyl-N,N-diethylaniline.
What is the SMILES notation for 2-diphenylphosphanyl-N,N-diethylaniline?
The canonical SMILES for 2-diphenylphosphanyl-N,N-diethylaniline is CCN(CC)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N,N-diethylaniline?
The InChIKey is BQYGJUFKIGEPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NP/c1-3-23(4-2)21-17-11-12-18-22(21)24(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,3-4H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N,N-diethylaniline?
2-diphenylphosphanyl-N,N-diethylaniline has a molecular weight of 333.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N,N-diethylaniline is sourced from PubChem (CID 13103880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).