2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol

C9H22NO5P — CID 17722

IUPAC2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
SMILESCCOP(=O)(CN(CCO)CCO)OCC
InChIInChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3
InChIKeyCCJKFLLIJCGHMO-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.50
Rot. Bonds10

About 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol

2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 17722) has the molecular formula C9H22NO5P and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
PubChem CID17722
Molecular FormulaC9H22NO5P
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC Name2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
SMILESCCOP(=O)(CN(CCO)CCO)OCC
InChIInChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3
InChIKeyCCJKFLLIJCGHMO-UHFFFAOYSA-N
XLogP0.50
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol (CID 17722) is 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol is CCOP(=O)(CN(CCO)CCO)OCC.
What is the InChIKey of 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is CCJKFLLIJCGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO5P/c1-3-14-16(13,15-4-2)9-10(5-7-11)6-8-12/h11-12H,3-9H2,1-2H3.
What are the key properties of 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol?
2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 255.25 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 17722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).