dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium

C15H19NO2P+ — CID 23413440

IUPACdimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium
SMILESC[NH+](C)CP(=O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO2P/c1-16(2)13-19(17,15-11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/p+1
InChIKeyGSSIAQJLXSEQAZ-UHFFFAOYSA-O
MW276.30 g/mol
LogP1.77
Rot. Bonds5

About dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium

dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium (PubChem CID 23413440) has the molecular formula C15H19NO2P+ and a molecular weight of 276.30 g/mol. Its IUPAC name is dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium
PubChem CID23413440
Molecular FormulaC15H19NO2P+
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Namedimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium
SMILESC[NH+](C)CP(=O)(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H18NO2P/c1-16(2)13-19(17,15-11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/p+1
InChIKeyGSSIAQJLXSEQAZ-UHFFFAOYSA-O
XLogP1.77
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4-bromophenyl)-phenoxyphosphoryl]methyl-dimethylazanium
CID 23413448
N,N-dimethyl-1-[(4-methylphenyl)-phenoxyphosphoryl]methanamine
CID 23413425
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
[methyl-[[methyl(phenoxy)phosphoryl]amino]phosphoryl]oxybenzene
CID 11865181
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[tert-butyl(phenyl)phosphoryl]oxybenzene
CID 91326926
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
diphenoxyphosphoryl diphenyl phosphate;propane
CID 162105616
sodium phenoxy(phenyl)phosphinate
CID 161254659
phenoxy(phenyl)phosphinic acid;phosphenous acid
CID 174870906
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium?
The IUPAC name of dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium (CID 23413440) is dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium.
What is the SMILES notation for dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium?
The canonical SMILES for dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium is C[NH+](C)CP(=O)(Oc1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium?
The InChIKey is GSSIAQJLXSEQAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18NO2P/c1-16(2)13-19(17,15-11-7-4-8-12-15)18-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/p+1.
What are the key properties of dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium?
dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium has a molecular weight of 276.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[phenoxy(phenyl)phosphoryl]methyl]azanium is sourced from PubChem (CID 23413440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).