diethyl-bis(4-methylanilino)phosphanium

C18H26N2P+ — CID 132582432

IUPACdiethyl-bis(4-methylanilino)phosphanium
SMILESCC[P+](CC)(Nc1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C18H26N2P/c1-5-21(6-2,19-17-11-7-15(3)8-12-17)20-18-13-9-16(4)10-14-18/h7-14,19-20H,5-6H2,1-4H3/q+1
InChIKeyNFMVLPCRMYKHML-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.71
Rot. Bonds6

About diethyl-bis(4-methylanilino)phosphanium

diethyl-bis(4-methylanilino)phosphanium (PubChem CID 132582432) has the molecular formula C18H26N2P+ and a molecular weight of 301.39 g/mol. Its IUPAC name is diethyl-bis(4-methylanilino)phosphanium.

Molecular Properties

Compound Namediethyl-bis(4-methylanilino)phosphanium
PubChem CID132582432
Molecular FormulaC18H26N2P+
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Namediethyl-bis(4-methylanilino)phosphanium
SMILESCC[P+](CC)(Nc1ccc(C)cc1)Nc1ccc(C)cc1
InChIInChI=1S/C18H26N2P/c1-5-21(6-2,19-17-11-7-15(3)8-12-17)20-18-13-9-16(4)10-14-18/h7-14,19-20H,5-6H2,1-4H3/q+1
InChIKeyNFMVLPCRMYKHML-UHFFFAOYSA-N
XLogP5.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[1-(4-methylphenyl)butan-2-yl]aniline
CID 164667835
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
CID 65377551
1-N'-(4-methylphenyl)butane-1,1-diamine
CID 143703381
trianilino-(4-methylanilino)phosphanium chloride
CID 21238664
methylamino-(4-methylanilino)methanol
CID 166978175
4-methyl-N-octan-4-ylaniline
CID 12779858
2-(4-methylanilino)butanehydrazide
CID 25219138
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
1-methyl-2-(4-methylphenyl)hydrazine;propane
CID 144808247
N-(difluoromethyl)-4-methylaniline;ethane
CID 170790266
methane;propane;1,4-xylene
CID 143560264

Frequently Asked Questions

What is the IUPAC name of diethyl-bis(4-methylanilino)phosphanium?
The IUPAC name of diethyl-bis(4-methylanilino)phosphanium (CID 132582432) is diethyl-bis(4-methylanilino)phosphanium.
What is the SMILES notation for diethyl-bis(4-methylanilino)phosphanium?
The canonical SMILES for diethyl-bis(4-methylanilino)phosphanium is CC[P+](CC)(Nc1ccc(C)cc1)Nc1ccc(C)cc1.
What is the InChIKey of diethyl-bis(4-methylanilino)phosphanium?
The InChIKey is NFMVLPCRMYKHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2P/c1-5-21(6-2,19-17-11-7-15(3)8-12-17)20-18-13-9-16(4)10-14-18/h7-14,19-20H,5-6H2,1-4H3/q+1.
What are the key properties of diethyl-bis(4-methylanilino)phosphanium?
diethyl-bis(4-methylanilino)phosphanium has a molecular weight of 301.39 g/mol, XLogP of 5.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-bis(4-methylanilino)phosphanium is sourced from PubChem (CID 132582432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).