(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine

C13H13BrClN3O2 — CID 107994970

IUPAC(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
SMILESCOc1cnc(C(N)c2ccc(Cl)c(Br)c2)c(OC)n1
InChIInChI=1S/C13H13BrClN3O2/c1-19-10-6-17-12(13(18-10)20-2)11(16)7-3-4-9(15)8(14)5-7/h3-6,11H,16H2,1-2H3
InChIKeyZEAPDAPMLSRMAP-UHFFFAOYSA-N
MW358.62 g/mol
LogP2.96
Rot. Bonds4

About (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine

(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine (PubChem CID 107994970) has the molecular formula C13H13BrClN3O2 and a molecular weight of 358.62 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
PubChem CID107994970
Molecular FormulaC13H13BrClN3O2
Molecular Weight358.62 g/mol
Exact Mass356.99
IUPAC Name(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine
SMILESCOc1cnc(C(N)c2ccc(Cl)c(Br)c2)c(OC)n1
InChIInChI=1S/C13H13BrClN3O2/c1-19-10-6-17-12(13(18-10)20-2)11(16)7-3-4-9(15)8(14)5-7/h3-6,11H,16H2,1-2H3
InChIKeyZEAPDAPMLSRMAP-UHFFFAOYSA-N
XLogP2.96
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 113421651
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984
(3,5-dimethoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105031257
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxypropan-1-amine
CID 105178309
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3-bromo-4-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 115567230

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine (CID 107994970) is (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine is COc1cnc(C(N)c2ccc(Cl)c(Br)c2)c(OC)n1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
The InChIKey is ZEAPDAPMLSRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2/c1-19-10-6-17-12(13(18-10)20-2)11(16)7-3-4-9(15)8(14)5-7/h3-6,11H,16H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine?
(3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine has a molecular weight of 358.62 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3,5-dimethoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 107994970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).