2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol

C7H18NO4P — CID 146917629

IUPAC2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol
SMILESCOP(=O)(CCN(C)CCO)OC
InChIInChI=1S/C7H18NO4P/c1-8(4-6-9)5-7-13(10,11-2)12-3/h9H,4-7H2,1-3H3
InChIKeyACNSCGMUXLHZMR-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.40
Rot. Bonds7

About 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol

2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol (PubChem CID 146917629) has the molecular formula C7H18NO4P and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol
PubChem CID146917629
Molecular FormulaC7H18NO4P
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC Name2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol
SMILESCOP(=O)(CCN(C)CCO)OC
InChIInChI=1S/C7H18NO4P/c1-8(4-6-9)5-7-13(10,11-2)12-3/h9H,4-7H2,1-3H3
InChIKeyACNSCGMUXLHZMR-UHFFFAOYSA-N
XLogP0.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[dimethoxyphosphorylmethyl(hydroxymethyl)amino]ethanol
CID 141320852
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[4-methoxybutyl(methyl)amino]ethanol
CID 115634030
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
CID 23422673
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
bis[2-[2-hydroxyethyl(methyl)amino]ethoxy]-oxoazanium
CID 118238720
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
CID 145233520
2-[2-hydroxyethyl(methyl)amino]ethyl sulfate
CID 59107411

Frequently Asked Questions

What is the IUPAC name of 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol?
The IUPAC name of 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol (CID 146917629) is 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol?
The canonical SMILES for 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol is COP(=O)(CCN(C)CCO)OC.
What is the InChIKey of 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol?
The InChIKey is ACNSCGMUXLHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO4P/c1-8(4-6-9)5-7-13(10,11-2)12-3/h9H,4-7H2,1-3H3.
What are the key properties of 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol?
2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol has a molecular weight of 211.20 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-dimethoxyphosphorylethyl(methyl)amino]ethanol is sourced from PubChem (CID 146917629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).