tert-butyl diethylamino phenyl phosphate

C14H24NO4P — CID 151235255

IUPACtert-butyl diethylamino phenyl phosphate
SMILESCCN(CC)OP(=O)(Oc1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H24NO4P/c1-6-15(7-2)19-20(16,18-14(3,4)5)17-13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3
InChIKeyNPDGWRJELKWXQZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP4.26
Rot. Bonds7

About tert-butyl diethylamino phenyl phosphate

tert-butyl diethylamino phenyl phosphate (PubChem CID 151235255) has the molecular formula C14H24NO4P and a molecular weight of 301.32 g/mol. Its IUPAC name is tert-butyl diethylamino phenyl phosphate.

Molecular Properties

Compound Nametert-butyl diethylamino phenyl phosphate
PubChem CID151235255
Molecular FormulaC14H24NO4P
Molecular Weight301.32 g/mol
Exact Mass301.14
IUPAC Nametert-butyl diethylamino phenyl phosphate
SMILESCCN(CC)OP(=O)(Oc1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H24NO4P/c1-6-15(7-2)19-20(16,18-14(3,4)5)17-13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3
InChIKeyNPDGWRJELKWXQZ-UHFFFAOYSA-N
XLogP4.26
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[methyl(phenoxy)phosphoryl]oxyethanamine
CID 152707624
bis(2-methylbutan-2-yl) phenyl phosphate
CID 174786523
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
methoxymethyl diphenyl phosphate
CID 18345572
2-methylpropane;triphenyl phosphate
CID 91193965
[tert-butyl(phenyl)phosphoryl]oxybenzene
CID 91326926
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
dipropoxyphosphoryl [phenoxy(propoxy)phosphoryl] propyl phosphate
CID 3058504
2-(dimethylamino)ethyl diphenyl phosphate
CID 169439172
(3-bromo-1,1-dichloro-2,2-dimethylpropyl) (2,3-dibromo-1,1,2-trichloropropyl) phenyl phosphate
CID 21412984

Frequently Asked Questions

What is the IUPAC name of tert-butyl diethylamino phenyl phosphate?
The IUPAC name of tert-butyl diethylamino phenyl phosphate (CID 151235255) is tert-butyl diethylamino phenyl phosphate.
What is the SMILES notation for tert-butyl diethylamino phenyl phosphate?
The canonical SMILES for tert-butyl diethylamino phenyl phosphate is CCN(CC)OP(=O)(Oc1ccccc1)OC(C)(C)C.
What is the InChIKey of tert-butyl diethylamino phenyl phosphate?
The InChIKey is NPDGWRJELKWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO4P/c1-6-15(7-2)19-20(16,18-14(3,4)5)17-13-11-9-8-10-12-13/h8-12H,6-7H2,1-5H3.
What are the key properties of tert-butyl diethylamino phenyl phosphate?
tert-butyl diethylamino phenyl phosphate has a molecular weight of 301.32 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl diethylamino phenyl phosphate is sourced from PubChem (CID 151235255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).