1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine

C13H13BrClN3 — CID 103054121

IUPAC1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(Cl)cn1
InChIInChI=1S/C13H13BrClN3/c1-18(8-10-2-4-11(14)5-3-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3
InChIKeyIUHNPTOYXPSUTE-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine

1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine (PubChem CID 103054121) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
PubChem CID103054121
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Br)cc1)Cc1cnc(Cl)cn1
InChIInChI=1S/C13H13BrClN3/c1-18(8-10-2-4-11(14)5-3-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3
InChIKeyIUHNPTOYXPSUTE-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine (CID 103054121) is 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine is CN(Cc1ccc(Br)cc1)Cc1cnc(Cl)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine?
The InChIKey is IUHNPTOYXPSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-18(8-10-2-4-11(14)5-3-10)9-12-6-17-13(15)7-16-12/h2-7H,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine?
1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine has a molecular weight of 326.63 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-chloropyrazin-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 103054121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).