N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C14H15BrFN3O — CID 114906631

IUPACN-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1nccnc1OC
InChIInChI=1S/C14H15BrFN3O/c1-3-17-12(10-5-4-9(15)8-11(10)16)13-14(20-2)19-7-6-18-13/h4-8,12,17H,3H2,1-2H3
InChIKeyNMEUSHMPSIHGGF-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 114906631) has the molecular formula C14H15BrFN3O and a molecular weight of 340.20 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID114906631
Molecular FormulaC14H15BrFN3O
Molecular Weight340.20 g/mol
Exact Mass339.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1F)c1nccnc1OC
InChIInChI=1S/C14H15BrFN3O/c1-3-17-12(10-5-4-9(15)8-11(10)16)13-14(20-2)19-7-6-18-13/h4-8,12,17H,3H2,1-2H3
InChIKeyNMEUSHMPSIHGGF-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516092
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
N-[(4-bromo-2-fluorophenyl)-(5-bromo-2-methoxyphenyl)methyl]ethanamine
CID 43487855
N-[(3-bromo-2-pyridinyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395826
N-[(4-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103302801
N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516007
N-[(4,5-dibromothiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105032234
N-[(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43491332
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
[(2,5-dibromophenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332660
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-fluorophenyl)methyl]ethanamine
CID 79746769

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 114906631) is N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1F)c1nccnc1OC.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is NMEUSHMPSIHGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3O/c1-3-17-12(10-5-4-9(15)8-11(10)16)13-14(20-2)19-7-6-18-13/h4-8,12,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 340.20 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114906631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).