2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline

C13H13BrClN3 — CID 104722681

IUPAC2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline
SMILESCc1cc(Br)c(NC(C)c2cnccn2)cc1Cl
InChIInChI=1S/C13H13BrClN3/c1-8-5-10(14)12(6-11(8)15)18-9(2)13-7-16-3-4-17-13/h3-7,9,18H,1-2H3
InChIKeyVXJBRZMDGHEYOX-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.37
Rot. Bonds3

About 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline

2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline (PubChem CID 104722681) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline
PubChem CID104722681
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline
SMILESCc1cc(Br)c(NC(C)c2cnccn2)cc1Cl
InChIInChI=1S/C13H13BrClN3/c1-8-5-10(14)12(6-11(8)15)18-9(2)13-7-16-3-4-17-13/h3-7,9,18H,1-2H3
InChIKeyVXJBRZMDGHEYOX-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 113354050
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
4-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]benzene-1,3-diol
CID 104722788
3-iodo-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 113368982
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
5-methyl-N-(1-pyrazin-2-ylethyl)pyridin-2-amine
CID 115917057
2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 104722479

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline (CID 104722681) is 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline is Cc1cc(Br)c(NC(C)c2cnccn2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The InChIKey is VXJBRZMDGHEYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8-5-10(14)12(6-11(8)15)18-9(2)13-7-16-3-4-17-13/h3-7,9,18H,1-2H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline?
2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline has a molecular weight of 326.63 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline is sourced from PubChem (CID 104722681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).