5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine

C13H14BrN3O — CID 103058495

IUPAC5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2ccccc2Br)cn1
InChIInChI=1S/C13H14BrN3O/c1-2-15-13-8-16-10(7-17-13)9-18-12-6-4-3-5-11(12)14/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyXCMYDGKCVSOMOX-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.25
Rot. Bonds5

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

5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine (PubChem CID 103058495) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
PubChem CID103058495
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(COc2ccccc2Br)cn1
InChIInChI=1S/C13H14BrN3O/c1-2-15-13-8-16-10(7-17-13)9-18-12-6-4-3-5-11(12)14/h3-8H,2,9H2,1H3,(H,15,17)
InChIKeyXCMYDGKCVSOMOX-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058498
5-[(2-bromo-5-fluorophenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059297
[5-[(2-bromophenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061839
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
5-[(2,3-dimethylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103058135
5-[(2-chloro-4-methylphenoxy)methyl]-N-ethylpyrazin-2-amine
CID 103059015
N-ethyl-5-(phenylmethoxymethyl)pyrazin-2-amine
CID 103057962
5-[(2-chlorophenoxy)methyl]-N-methylpyrazin-2-amine
CID 103058191
N-ethyl-5-[(2-fluorophenyl)methoxymethyl]pyrazin-2-amine
CID 103059095
3-[[5-(ethylamino)pyrazin-2-yl]methoxy]-4-methylbenzonitrile
CID 107660576
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine (CID 103058495) is 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine is CCNc1cnc(COc2ccccc2Br)cn1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine?
The InChIKey is XCMYDGKCVSOMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-15-13-8-16-10(7-17-13)9-18-12-6-4-3-5-11(12)14/h3-8H,2,9H2,1H3,(H,15,17).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine?
5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine has a molecular weight of 308.18 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103058495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).