2-dimethylphosphoryl-N-methylaniline

C9H14NOP — CID 130370535

IUPAC2-dimethylphosphoryl-N-methylaniline
SMILESCNc1ccccc1P(C)(C)=O
InChIInChI=1S/C9H14NOP/c1-10-8-6-4-5-7-9(8)12(2,3)11/h4-7,10H,1-3H3
InChIKeyPNQWLLHWUBMLPA-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.98
Rot. Bonds2

About 2-dimethylphosphoryl-N-methylaniline

2-dimethylphosphoryl-N-methylaniline (PubChem CID 130370535) has the molecular formula C9H14NOP and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-dimethylphosphoryl-N-methylaniline.

Molecular Properties

Compound Name2-dimethylphosphoryl-N-methylaniline
PubChem CID130370535
Molecular FormulaC9H14NOP
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-dimethylphosphoryl-N-methylaniline
SMILESCNc1ccccc1P(C)(C)=O
InChIInChI=1S/C9H14NOP/c1-10-8-6-4-5-7-9(8)12(2,3)11/h4-7,10H,1-3H3
InChIKeyPNQWLLHWUBMLPA-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethylphosphoryl-N-methylaniline?
The IUPAC name of 2-dimethylphosphoryl-N-methylaniline (CID 130370535) is 2-dimethylphosphoryl-N-methylaniline.
What is the SMILES notation for 2-dimethylphosphoryl-N-methylaniline?
The canonical SMILES for 2-dimethylphosphoryl-N-methylaniline is CNc1ccccc1P(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryl-N-methylaniline?
The InChIKey is PNQWLLHWUBMLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NOP/c1-10-8-6-4-5-7-9(8)12(2,3)11/h4-7,10H,1-3H3.
What are the key properties of 2-dimethylphosphoryl-N-methylaniline?
2-dimethylphosphoryl-N-methylaniline has a molecular weight of 183.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryl-N-methylaniline is sourced from PubChem (CID 130370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).