4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine

C13H15FN3O2P — CID 171509235

IUPAC4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
SMILESCP(C)(=O)c1c(Oc2ccc(N)cc2F)ccnc1N
InChIInChI=1S/C13H15FN3O2P/c1-20(2,18)12-11(5-6-17-13(12)16)19-10-4-3-8(15)7-9(10)14/h3-7H,15H2,1-2H3,(H2,16,17)
InChIKeyTUAYMQAQYGVJBP-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.43
Rot. Bonds3

About 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine

4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine (PubChem CID 171509235) has the molecular formula C13H15FN3O2P and a molecular weight of 295.25 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
PubChem CID171509235
Molecular FormulaC13H15FN3O2P
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC Name4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
SMILESCP(C)(=O)c1c(Oc2ccc(N)cc2F)ccnc1N
InChIInChI=1S/C13H15FN3O2P/c1-20(2,18)12-11(5-6-17-13(12)16)19-10-4-3-8(15)7-9(10)14/h3-7H,15H2,1-2H3,(H2,16,17)
InChIKeyTUAYMQAQYGVJBP-UHFFFAOYSA-N
XLogP2.43
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
4-(3,3-difluoropyrrolo[2,3-b]pyridin-4-yl)oxy-3-fluoroaniline
CID 158489507
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
N-[4-(4-amino-2-fluorophenoxy)-3-chloro-2-pyridinyl]formamide
CID 164738458
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
CID 89043701
4-(4-amino-2-fluorophenoxy)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylic acid
CID 175096326
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
4-[(3-chloro-4-pyridinyl)oxy]-3-fluoroaniline
CID 79840437
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine?
The IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine (CID 171509235) is 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine.
What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine?
The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine is CP(C)(=O)c1c(Oc2ccc(N)cc2F)ccnc1N.
What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine?
The InChIKey is TUAYMQAQYGVJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN3O2P/c1-20(2,18)12-11(5-6-17-13(12)16)19-10-4-3-8(15)7-9(10)14/h3-7H,15H2,1-2H3,(H2,16,17).
What are the key properties of 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine?
4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine has a molecular weight of 295.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine is sourced from PubChem (CID 171509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).