2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine

C14H15BrFN3 — CID 62600046

IUPAC2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1cnccn1
InChIInChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-6,8-9,13,18H,2,7H2,1H3
InChIKeyVCQOIRBROHMZTB-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.27
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 62600046) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID62600046
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)c1cnccn1
InChIInChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-6,8-9,13,18H,2,7H2,1H3
InChIKeyVCQOIRBROHMZTB-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

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360132
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
2-(2-bromo-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 63673611
2-(2-bromo-4-fluorophenyl)-1-(4-chlorophenyl)-N-ethylethanamine
CID 63414075
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115843076
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115843296
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-2-methylphenyl)-N-ethylethanamine
CID 115843094
2-(2,3-dichlorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 107308453

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 62600046) is 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(Cc1ccc(F)cc1Br)c1cnccn1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is VCQOIRBROHMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-2-18-13(14-9-17-5-6-19-14)7-10-3-4-11(16)8-12(10)15/h3-6,8-9,13,18H,2,7H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(2-bromo-4-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-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 62600046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).