N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H13BrFN3 — CID 106645388

IUPACN-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3
InChIKeyZZAVBLLFAVHKLX-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.08
Rot. Bonds4

About N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 106645388) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID106645388
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1cccc(Br)c1F
InChIInChI=1S/C13H13BrFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3
InChIKeyZZAVBLLFAVHKLX-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(3-bromo-2-fluorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 106645324
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860519
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 106645665
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]ethanamine
CID 106646204
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 106645388) is N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1cccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is ZZAVBLLFAVHKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-2-17-13(11-8-16-6-7-18-11)9-4-3-5-10(14)12(9)15/h3-8,13,17H,2H2,1H3.
What are the key properties of N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 106645388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).