2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium

C11H20N2O3P+ — CID 166085957

IUPAC2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(O)Oc1ccc(N)cc1
InChIInChI=1S/C11H20N2O3P/c1-13(2,3)8-9-15-17(14)16-11-6-4-10(12)5-7-11/h4-7,14H,8-9,12H2,1-3H3/q+1
InChIKeyMMQBHGPMMFAZAQ-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.59
Rot. Bonds6

About 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium

2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium (PubChem CID 166085957) has the molecular formula C11H20N2O3P+ and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
PubChem CID166085957
Molecular FormulaC11H20N2O3P+
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
SMILESC[N+](C)(C)CCOP(O)Oc1ccc(N)cc1
InChIInChI=1S/C11H20N2O3P/c1-13(2,3)8-9-15-17(14)16-11-6-4-10(12)5-7-11/h4-7,14H,8-9,12H2,1-3H3/q+1
InChIKeyMMQBHGPMMFAZAQ-UHFFFAOYSA-N
XLogP1.59
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium (CID 166085957) is 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium is C[N+](C)(C)CCOP(O)Oc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
The InChIKey is MMQBHGPMMFAZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3P/c1-13(2,3)8-9-15-17(14)16-11-6-4-10(12)5-7-11/h4-7,14H,8-9,12H2,1-3H3/q+1.
What are the key properties of 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium?
2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium has a molecular weight of 259.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 166085957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).