2-(dimethylamino)ethyl diphenyl phosphate

C16H20NO4P — CID 169439172

IUPAC2-(dimethylamino)ethyl diphenyl phosphate
SMILESCN(C)CCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H20NO4P/c1-17(2)13-14-19-22(18,20-15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCWNXYBRNDJVMHH-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.83
Rot. Bonds8

About 2-(dimethylamino)ethyl diphenyl phosphate

2-(dimethylamino)ethyl diphenyl phosphate (PubChem CID 169439172) has the molecular formula C16H20NO4P and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl diphenyl phosphate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl diphenyl phosphate
PubChem CID169439172
Molecular FormulaC16H20NO4P
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name2-(dimethylamino)ethyl diphenyl phosphate
SMILESCN(C)CCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H20NO4P/c1-17(2)13-14-19-22(18,20-15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyCWNXYBRNDJVMHH-UHFFFAOYSA-N
XLogP3.83
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexyl diphenyl phosphate
CID 13389453
methoxymethyl diphenyl phosphate
CID 18345572
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504
heptyl pentyl phenyl phosphate
CID 21454681
[dimethyl(trimethylsilylmethyl)silyl]methyl diphenyl phosphate
CID 15829161
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
2-methylpropane;triphenyl phosphate
CID 91193965
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl diphenyl phosphate
CID 175686297
phenyl bis(3,3,5-trimethylhexyl) phosphate
CID 139886314
phenyl bis(3,5,5-trimethylhexyl) phosphate
CID 18412862

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl diphenyl phosphate?
The IUPAC name of 2-(dimethylamino)ethyl diphenyl phosphate (CID 169439172) is 2-(dimethylamino)ethyl diphenyl phosphate.
What is the SMILES notation for 2-(dimethylamino)ethyl diphenyl phosphate?
The canonical SMILES for 2-(dimethylamino)ethyl diphenyl phosphate is CN(C)CCOP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl diphenyl phosphate?
The InChIKey is CWNXYBRNDJVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO4P/c1-17(2)13-14-19-22(18,20-15-9-5-3-6-10-15)21-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl diphenyl phosphate?
2-(dimethylamino)ethyl diphenyl phosphate has a molecular weight of 321.31 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl diphenyl phosphate is sourced from PubChem (CID 169439172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).