1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol

C9H22NO3P — CID 171384163

IUPAC1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol
SMILESCCOP(=O)(CN(CC)CC)C(C)O
InChIInChI=1S/C9H22NO3P/c1-5-10(6-2)8-14(12,9(4)11)13-7-3/h9,11H,5-8H2,1-4H3
InChIKeyAYXYDVGNSSGULQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.94
Rot. Bonds7

About 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol

1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol (PubChem CID 171384163) has the molecular formula C9H22NO3P and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol.

Molecular Properties

Compound Name1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol
PubChem CID171384163
Molecular FormulaC9H22NO3P
Molecular Weight223.25 g/mol
Exact Mass223.13
IUPAC Name1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol
SMILESCCOP(=O)(CN(CC)CC)C(C)O
InChIInChI=1S/C9H22NO3P/c1-5-10(6-2)8-14(12,9(4)11)13-7-3/h9,11H,5-8H2,1-4H3
InChIKeyAYXYDVGNSSGULQ-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol?
The IUPAC name of 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol (CID 171384163) is 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol.
What is the SMILES notation for 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol?
The canonical SMILES for 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol is CCOP(=O)(CN(CC)CC)C(C)O.
What is the InChIKey of 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol?
The InChIKey is AYXYDVGNSSGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO3P/c1-5-10(6-2)8-14(12,9(4)11)13-7-3/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol?
1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol has a molecular weight of 223.25 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethylaminomethyl(ethoxy)phosphoryl]ethanol is sourced from PubChem (CID 171384163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).