diethoxyphosphoryl-(4-methylphenyl)azanium

C11H19NO3P+ — CID 143511505

IUPACdiethoxyphosphoryl-(4-methylphenyl)azanium
SMILESCCOP(=O)([NH2+]c1ccc(C)cc1)OCC
InChIInChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,12,13)/p+1
InChIKeyFIIBYAQZDZHGJM-UHFFFAOYSA-O
MW244.25 g/mol
LogP2.37
Rot. Bonds6

About diethoxyphosphoryl-(4-methylphenyl)azanium

diethoxyphosphoryl-(4-methylphenyl)azanium (PubChem CID 143511505) has the molecular formula C11H19NO3P+ and a molecular weight of 244.25 g/mol. Its IUPAC name is diethoxyphosphoryl-(4-methylphenyl)azanium.

Molecular Properties

Compound Namediethoxyphosphoryl-(4-methylphenyl)azanium
PubChem CID143511505
Molecular FormulaC11H19NO3P+
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Namediethoxyphosphoryl-(4-methylphenyl)azanium
SMILESCCOP(=O)([NH2+]c1ccc(C)cc1)OCC
InChIInChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,12,13)/p+1
InChIKeyFIIBYAQZDZHGJM-UHFFFAOYSA-O
XLogP2.37
TPSA52.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-[ethoxy-(4-methylphenyl)phosphoryl]-4-methylbenzene
CID 15616106
N-diethoxyphosphoryl-1-(4-methylphenyl)methanamine
CID 10848734
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-[ethoxy(propyl)phosphoryl]-4-methylbenzene
CID 23081786
(E)-N-diethoxyphosphoryl-1-(4-methylphenyl)methanimine
CID 24976772
ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
CID 59986294
1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835
1,1-bis(diethoxyphosphoryl)-N-[(4-methylphenyl)methyl]methanamine
CID 5325126
1-diethoxyphosphoryl-N,N'-bis(4-methylphenyl)methanimidamide
CID 15001480
ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
CID 10957350
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
(1R,2S)-2-amino-1-diethoxyphosphoryl-2-(4-methylphenyl)ethanol
CID 101084250

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl-(4-methylphenyl)azanium?
The IUPAC name of diethoxyphosphoryl-(4-methylphenyl)azanium (CID 143511505) is diethoxyphosphoryl-(4-methylphenyl)azanium.
What is the SMILES notation for diethoxyphosphoryl-(4-methylphenyl)azanium?
The canonical SMILES for diethoxyphosphoryl-(4-methylphenyl)azanium is CCOP(=O)([NH2+]c1ccc(C)cc1)OCC.
What is the InChIKey of diethoxyphosphoryl-(4-methylphenyl)azanium?
The InChIKey is FIIBYAQZDZHGJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)12-11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,12,13)/p+1.
What are the key properties of diethoxyphosphoryl-(4-methylphenyl)azanium?
diethoxyphosphoryl-(4-methylphenyl)azanium has a molecular weight of 244.25 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl-(4-methylphenyl)azanium is sourced from PubChem (CID 143511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).