2-diethoxyphosphoryl-6-methylaniline

C11H18NO3P — CID 54543104

IUPAC2-diethoxyphosphoryl-6-methylaniline
SMILESCCOP(=O)(OCC)c1cccc(C)c1N
InChIInChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)10-8-6-7-9(3)11(10)12/h6-8H,4-5,12H2,1-3H3
InChIKeyZEQAOWHLIDQJHP-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.47
Rot. Bonds5

About 2-diethoxyphosphoryl-6-methylaniline

2-diethoxyphosphoryl-6-methylaniline (PubChem CID 54543104) has the molecular formula C11H18NO3P and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-6-methylaniline.

Molecular Properties

Compound Name2-diethoxyphosphoryl-6-methylaniline
PubChem CID54543104
Molecular FormulaC11H18NO3P
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name2-diethoxyphosphoryl-6-methylaniline
SMILESCCOP(=O)(OCC)c1cccc(C)c1N
InChIInChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)10-8-6-7-9(3)11(10)12/h6-8H,4-5,12H2,1-3H3
InChIKeyZEQAOWHLIDQJHP-UHFFFAOYSA-N
XLogP2.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-6-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-diethoxyphosphoryl-4-methylaniline
CID 166610077
(2-amino-3-methylphenyl)phosphonic acid
CID 19089383
1,2-dichloro-3-diethoxyphosphorylbenzene
CID 166609863
1-[ethoxy-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 23081831
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
5-diethoxyphosphorylquinoxaline
CID 57308706
1-dibutoxyphosphoryl-2-methylbenzene
CID 12828370
1-diethoxyphosphoryl-2-[ethoxy(phenyl)phosphoryl]benzene
CID 12651419
2-diethoxyphosphorylbenzaldehyde;toluene
CID 161160317
1-bromo-2-(2-methylphenyl)benzene;1-[chloro(ethoxy)phosphoryl]oxyethane;1-(2-diethoxyphosphorylphenyl)-2-methylbenzene
CID 158084971
3-diethoxyphosphoryl-2-(3-diethoxyphosphoryl-5-methylthiophen-2-yl)-5-methylthiophene
CID 59155843
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
CID 14246803

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-6-methylaniline?
The IUPAC name of 2-diethoxyphosphoryl-6-methylaniline (CID 54543104) is 2-diethoxyphosphoryl-6-methylaniline.
What is the SMILES notation for 2-diethoxyphosphoryl-6-methylaniline?
The canonical SMILES for 2-diethoxyphosphoryl-6-methylaniline is CCOP(=O)(OCC)c1cccc(C)c1N.
What is the InChIKey of 2-diethoxyphosphoryl-6-methylaniline?
The InChIKey is ZEQAOWHLIDQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO3P/c1-4-14-16(13,15-5-2)10-8-6-7-9(3)11(10)12/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-6-methylaniline?
2-diethoxyphosphoryl-6-methylaniline has a molecular weight of 243.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-6-methylaniline is sourced from PubChem (CID 54543104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).