2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline

C22H33NP2 — CID 87445133

IUPAC2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline
SMILESCCN(c1ccccc1P(CC)CC)c1ccccc1P(CC)CC
InChIInChI=1S/C22H33NP2/c1-6-23(19-15-11-13-17-21(19)24(7-2)8-3)20-16-12-14-18-22(20)25(9-4)10-5/h11-18H,6-10H2,1-5H3
InChIKeyUNTKHVGUGSUWNW-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.14
Rot. Bonds9

About 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline

2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline (PubChem CID 87445133) has the molecular formula C22H33NP2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline.

Molecular Properties

Compound Name2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline
PubChem CID87445133
Molecular FormulaC22H33NP2
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline
SMILESCCN(c1ccccc1P(CC)CC)c1ccccc1P(CC)CC
InChIInChI=1S/C22H33NP2/c1-6-23(19-15-11-13-17-21(19)24(7-2)8-3)20-16-12-14-18-22(20)25(9-4)10-5/h11-18H,6-10H2,1-5H3
InChIKeyUNTKHVGUGSUWNW-UHFFFAOYSA-N
XLogP6.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline?
The IUPAC name of 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline (CID 87445133) is 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline.
What is the SMILES notation for 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline?
The canonical SMILES for 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline is CCN(c1ccccc1P(CC)CC)c1ccccc1P(CC)CC.
What is the InChIKey of 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline?
The InChIKey is UNTKHVGUGSUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NP2/c1-6-23(19-15-11-13-17-21(19)24(7-2)8-3)20-16-12-14-18-22(20)25(9-4)10-5/h11-18H,6-10H2,1-5H3.
What are the key properties of 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline?
2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline has a molecular weight of 373.46 g/mol, XLogP of 6.14, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethylphosphanyl-N-(2-diethylphosphanylphenyl)-N-ethylaniline is sourced from PubChem (CID 87445133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).