5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine

C13H13BrFN3O — CID 103059297

IUPAC5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2cc(F)ccc2Br)cn1
InChIInChI=1S/C13H13BrFN3O/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(15)3-4-11(12)14/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyFZTNHJAMMPQACE-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.39
Rot. Bonds5

About 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine

5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103059297) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
PubChem CID103059297
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2cc(F)ccc2Br)cn1
InChIInChI=1S/C13H13BrFN3O/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(15)3-4-11(12)14/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyFZTNHJAMMPQACE-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058495
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
1-[6-[(2-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908545
5-[(2,5-difluorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine
CID 103059924
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine (CID 103059297) is 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(COc2cc(F)ccc2Br)cn1.
What is the InChIKey of 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is FZTNHJAMMPQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-2-16-13-7-17-10(6-18-13)8-19-12-5-9(15)3-4-11(12)14/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine?
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 326.17 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).