6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine

C13H12BrFN2O — CID 80881020

IUPAC6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H12BrFN2O/c1-2-16-12-4-3-5-13(17-12)18-11-7-6-9(14)8-10(11)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGCCUYSLNKOFKHH-UHFFFAOYSA-N
MW311.15 g/mol
LogP4.21
Rot. Bonds4

About 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine

6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine (PubChem CID 80881020) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
PubChem CID80881020
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C13H12BrFN2O/c1-2-16-12-4-3-5-13(17-12)18-11-7-6-9(14)8-10(11)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyGCCUYSLNKOFKHH-UHFFFAOYSA-N
XLogP4.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
6-(2,5-difluoro-4-nitrophenoxy)-N-ethylpyridin-2-amine
CID 80880029
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridin-2-amine
CID 103176293
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
[6-(5-bromo-2-fluorophenoxy)-2-pyridinyl]hydrazine
CID 114677416
6-[(4-bromo-2-fluorophenoxy)methyl]-5-chloro-N-ethylpyridin-2-amine
CID 63485322
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine (CID 80881020) is 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine is CCNc1cccc(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine?
The InChIKey is GCCUYSLNKOFKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c1-2-16-12-4-3-5-13(17-12)18-11-7-6-9(14)8-10(11)15/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine?
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine has a molecular weight of 311.15 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80881020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).