2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

C15H18BrN3O — CID 104515324

IUPAC2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1nccnc1OC
InChIInChI=1S/C15H18BrN3O/c1-3-17-13(10-11-4-6-12(16)7-5-11)14-15(20-2)19-9-8-18-14/h4-9,13,17H,3,10H2,1-2H3
InChIKeyIRROBUWQGWLXNV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 104515324) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID104515324
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1nccnc1OC
InChIInChI=1S/C15H18BrN3O/c1-3-17-13(10-11-4-6-12(16)7-5-11)14-15(20-2)19-9-8-18-14/h4-9,13,17H,3,10H2,1-2H3
InChIKeyIRROBUWQGWLXNV-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516092
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515541
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515338
2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515656
2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178614
N-[(4-bromo-2-fluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 114906631
N-[1-(3-methoxypyrazin-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105178677
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494
1-(4-bromophenyl)-N-ethyl-3-pyridin-4-ylpropan-2-amine
CID 55087091

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (CID 104515324) is 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is CCNC(Cc1ccc(Br)cc1)c1nccnc1OC.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is IRROBUWQGWLXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-17-13(10-11-4-6-12(16)7-5-11)14-15(20-2)19-9-8-18-14/h4-9,13,17H,3,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 104515324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).