3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine

C13H14BrN3O — CID 54971621

IUPAC3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cnccn1
InChIInChI=1S/C13H14BrN3O/c14-10-1-3-11(4-2-10)18-8-5-12(15)13-9-16-6-7-17-13/h1-4,6-7,9,12H,5,8,15H2
InChIKeyVIBKDRKZDZIJAF-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.71
Rot. Bonds5

About 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine

3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine (PubChem CID 54971621) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
PubChem CID54971621
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine
SMILESNC(CCOc1ccc(Br)cc1)c1cnccn1
InChIInChI=1S/C13H14BrN3O/c14-10-1-3-11(4-2-10)18-8-5-12(15)13-9-16-6-7-17-13/h1-4,6-7,9,12H,5,8,15H2
InChIKeyVIBKDRKZDZIJAF-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine (CID 54971621) is 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine is NC(CCOc1ccc(Br)cc1)c1cnccn1.
What is the InChIKey of 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine?
The InChIKey is VIBKDRKZDZIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-1-3-11(4-2-10)18-8-5-12(15)13-9-16-6-7-17-13/h1-4,6-7,9,12H,5,8,15H2.
What are the key properties of 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine?
3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine has a molecular weight of 308.18 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-1-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 54971621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).