2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine

C14H15BrFN3 — CID 62601747

IUPAC2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cnccn1
InChIInChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)8-10-7-11(15)3-4-12(10)16/h3-7,9,13,18H,2,8H2,1H3
InChIKeyHDURNLIDEXSGGL-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 62601747) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID62601747
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)c1cnccn1
InChIInChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)8-10-7-11(15)3-4-12(10)16/h3-7,9,13,18H,2,8H2,1H3
InChIKeyHDURNLIDEXSGGL-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923349
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105132112
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(3-ethyl-2-pyridinyl)ethanamine
CID 82732649
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839245
2-(5-bromo-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115839138
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115839366
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105131942
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 62601747) is 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(Cc1cc(Br)ccc1F)c1cnccn1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is HDURNLIDEXSGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)8-10-7-11(15)3-4-12(10)16/h3-7,9,13,18H,2,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 324.20 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 62601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).