2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

C11H20N2O4P+ — CID 19380802

IUPAC2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)Oc1ccccc1N
InChIInChI=1S/C11H19N2O4P/c1-13(2,3)8-9-16-18(14,15)17-11-7-5-4-6-10(11)12/h4-7H,8-9,12H2,1-3H3/p+1
InChIKeySOGDEJQNZJFMGL-UHFFFAOYSA-O
MW275.26 g/mol
LogP1.47
Rot. Bonds6

About 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium

2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium (PubChem CID 19380802) has the molecular formula C11H20N2O4P+ and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
PubChem CID19380802
Molecular FormulaC11H20N2O4P+
Molecular Weight275.26 g/mol
Exact Mass275.12
IUPAC Name2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(=O)(O)Oc1ccccc1N
InChIInChI=1S/C11H19N2O4P/c1-13(2,3)8-9-16-18(14,15)17-11-7-5-4-6-10(11)12/h4-7H,8-9,12H2,1-3H3/p+1
InChIKeySOGDEJQNZJFMGL-UHFFFAOYSA-O
XLogP1.47
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(2-phenoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 10881215
2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-trimethylazanium
CID 13292816
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
[2-[8-(2-aminophenoxy)octoxy-hydroxyphosphoryl]oxy-3-carboxypropyl]-trimethylazanium
CID 22407918
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
CID 139450592
2-[2,3-bis(2-methylphenoxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 175436489
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
CID 24801955
(2-aminophenoxy)methanol
CID 22976615
2-[hydroxy(4-hydroxybutoxy)phosphoryl]oxyethyl-trimethylazanium
CID 91588858
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[hydroxy(2-trimethylsilylethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 46830550

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium (CID 19380802) is 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium is C[N+](C)(C)CCOP(=O)(O)Oc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?
The InChIKey is SOGDEJQNZJFMGL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19N2O4P/c1-13(2,3)8-9-16-18(14,15)17-11-7-5-4-6-10(11)12/h4-7H,8-9,12H2,1-3H3/p+1.
What are the key properties of 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium?
2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium has a molecular weight of 275.26 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 19380802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).