6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine

C13H13ClFN3O — CID 116691218

IUPAC6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-6-17-11-7-16-8-12(18-11)19-10-5-3-4-9(14)13(10)15/h3-5,7-8H,2,6H2,1H3,(H,17,18)
InChIKeyIMXWCDWDYMVLBO-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.88
Rot. Bonds5

About 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine

6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine (PubChem CID 116691218) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
PubChem CID116691218
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-6-17-11-7-16-8-12(18-11)19-10-5-3-4-9(14)13(10)15/h3-5,7-8H,2,6H2,1H3,(H,17,18)
InChIKeyIMXWCDWDYMVLBO-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxyphenoxy)-N-propylpyrazin-2-amine
CID 80869118
6-(2,6-dimethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80865135
6-(2-ethylphenoxy)-N-propylpyrazin-2-amine
CID 80875740
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
N-propyl-6-quinolin-8-yloxypyrazin-2-amine
CID 80874686
6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
CID 80875626
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 116691277
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
N-ethyl-6-(2,4,5-trichlorophenoxy)pyrazin-2-amine
CID 80863080

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine (CID 116691218) is 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine is CCCNc1cncc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine?
The InChIKey is IMXWCDWDYMVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-6-17-11-7-16-8-12(18-11)19-10-5-3-4-9(14)13(10)15/h3-5,7-8H,2,6H2,1H3,(H,17,18).
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine?
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine has a molecular weight of 281.72 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine is sourced from PubChem (CID 116691218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).