4-dimethylphosphoryl-2,3-dimethoxyaniline

C10H16NO3P — CID 176906441

IUPAC4-dimethylphosphoryl-2,3-dimethoxyaniline
SMILESCOc1c(N)ccc(P(C)(C)=O)c1OC
InChIInChI=1S/C10H16NO3P/c1-13-9-7(11)5-6-8(10(9)14-2)15(3,4)12/h5-6H,11H2,1-4H3
InChIKeyNFCPNJNGWGLEMI-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.53
Rot. Bonds3

About 4-dimethylphosphoryl-2,3-dimethoxyaniline

4-dimethylphosphoryl-2,3-dimethoxyaniline (PubChem CID 176906441) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is 4-dimethylphosphoryl-2,3-dimethoxyaniline.

Molecular Properties

Compound Name4-dimethylphosphoryl-2,3-dimethoxyaniline
PubChem CID176906441
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name4-dimethylphosphoryl-2,3-dimethoxyaniline
SMILESCOc1c(N)ccc(P(C)(C)=O)c1OC
InChIInChI=1S/C10H16NO3P/c1-13-9-7(11)5-6-8(10(9)14-2)15(3,4)12/h5-6H,11H2,1-4H3
InChIKeyNFCPNJNGWGLEMI-UHFFFAOYSA-N
XLogP1.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.53
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 4-dimethylphosphoryl-2,3-dimethoxyaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-2,3-dimethoxyaniline?
The IUPAC name of 4-dimethylphosphoryl-2,3-dimethoxyaniline (CID 176906441) is 4-dimethylphosphoryl-2,3-dimethoxyaniline.
What is the SMILES notation for 4-dimethylphosphoryl-2,3-dimethoxyaniline?
The canonical SMILES for 4-dimethylphosphoryl-2,3-dimethoxyaniline is COc1c(N)ccc(P(C)(C)=O)c1OC.
What is the InChIKey of 4-dimethylphosphoryl-2,3-dimethoxyaniline?
The InChIKey is NFCPNJNGWGLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c1-13-9-7(11)5-6-8(10(9)14-2)15(3,4)12/h5-6H,11H2,1-4H3.
What are the key properties of 4-dimethylphosphoryl-2,3-dimethoxyaniline?
4-dimethylphosphoryl-2,3-dimethoxyaniline has a molecular weight of 229.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-2,3-dimethoxyaniline is sourced from PubChem (CID 176906441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).