5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine

C14H15BrFN3O — CID 103059413

IUPAC5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C14H15BrFN3O/c1-2-5-17-14-8-18-10(7-19-14)9-20-11-3-4-13(16)12(15)6-11/h3-4,6-8H,2,5,9H2,1H3,(H,17,19)
InChIKeyCMENPAVUVHYZEE-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.78
Rot. Bonds6

About 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine

5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine (PubChem CID 103059413) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
PubChem CID103059413
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC Name5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(COc2ccc(F)c(Br)c2)cn1
InChIInChI=1S/C14H15BrFN3O/c1-2-5-17-14-8-18-10(7-19-14)9-20-11-3-4-13(16)12(15)6-11/h3-4,6-8H,2,5,9H2,1H3,(H,17,19)
InChIKeyCMENPAVUVHYZEE-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
[5-[(2-bromo-4-methoxyphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061987

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine (CID 103059413) is 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine is CCCNc1cnc(COc2ccc(F)c(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine?
The InChIKey is CMENPAVUVHYZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-2-5-17-14-8-18-10(7-19-14)9-20-11-3-4-13(16)12(15)6-11/h3-4,6-8H,2,5,9H2,1H3,(H,17,19).
What are the key properties of 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine?
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine has a molecular weight of 340.20 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103059413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).