3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine

C15H17BrN2O — CID 113302971

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C15H17BrN2O/c1-9(2)13-7-12(16)5-6-14(13)19-15-11(4)17-8-10(3)18-15/h5-9H,1-4H3
InChIKeyAABGKSHDXOKQMH-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.77
Rot. Bonds3

About 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine

3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine (PubChem CID 113302971) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
PubChem CID113302971
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C15H17BrN2O/c1-9(2)13-7-12(16)5-6-14(13)19-15-11(4)17-8-10(3)18-15/h5-9H,1-4H3
InChIKeyAABGKSHDXOKQMH-UHFFFAOYSA-N
XLogP4.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 115401805
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 115401714
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
CID 115403150
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
5-(4-bromo-2-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 115402897
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine (CID 113302971) is 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine is Cc1cnc(C)c(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine?
The InChIKey is AABGKSHDXOKQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-9(2)13-7-12(16)5-6-14(13)19-15-11(4)17-8-10(3)18-15/h5-9H,1-4H3.
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine?
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine has a molecular weight of 321.22 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine is sourced from PubChem (CID 113302971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).