1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C13H14BrN3 — CID 107984997

IUPAC1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-5-10(12(9)14)13(15-2)11-8-16-6-7-17-11/h3-8,13,15H,1-2H3
InChIKeyJMAKKOVUEOILMA-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 107984997) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID107984997
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(C)c1Br
InChIInChI=1S/C13H14BrN3/c1-9-4-3-5-10(12(9)14)13(15-2)11-8-16-6-7-17-11/h3-8,13,15H,1-2H3
InChIKeyJMAKKOVUEOILMA-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
1-(3-bromo-2-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860344
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308730
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860660
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
1-(2-cyclobutylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 114602735
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 105149963

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 107984997) is 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cnccn1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is JMAKKOVUEOILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-4-3-5-10(12(9)14)13(15-2)11-8-16-6-7-17-11/h3-8,13,15H,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 292.18 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 107984997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).