4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

C16H20FN2P — CID 169174678

IUPAC4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCCP(CC)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C16H20FN2P/c1-4-20(5-2)16-8-9-18-11-15(16)19-14-7-6-12(3)10-13(14)17/h6-11,19H,4-5H2,1-3H3
InChIKeyCVGDIQVAVZDAQE-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.42
Rot. Bonds5

About 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine

4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (PubChem CID 169174678) has the molecular formula C16H20FN2P and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
PubChem CID169174678
Molecular FormulaC16H20FN2P
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine
SMILESCCP(CC)c1ccncc1Nc1ccc(C)cc1F
InChIInChI=1S/C16H20FN2P/c1-4-20(5-2)16-8-9-18-11-15(16)19-14-7-6-12(3)10-13(14)17/h6-11,19H,4-5H2,1-3H3
InChIKeyCVGDIQVAVZDAQE-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 54.42
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 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The IUPAC name of 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine (CID 169174678) is 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine.
What is the SMILES notation for 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The canonical SMILES for 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is CCP(CC)c1ccncc1Nc1ccc(C)cc1F.
What is the InChIKey of 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
The InChIKey is CVGDIQVAVZDAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN2P/c1-4-20(5-2)16-8-9-18-11-15(16)19-14-7-6-12(3)10-13(14)17/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine?
4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine has a molecular weight of 290.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethylphosphanyl-N-(2-fluoro-4-methylphenyl)pyridin-3-amine is sourced from PubChem (CID 169174678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).