N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine

C13H13BrClN3 — CID 107993288

IUPACN-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-2-17-13(12-8-16-5-6-18-12)10-4-3-9(15)7-11(10)14/h3-8,13,17H,2H2,1H3
InChIKeyGBCMIZZMUQPYLB-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.59
Rot. Bonds4

About N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 107993288) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID107993288
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3/c1-2-17-13(12-8-16-5-6-18-12)10-4-3-9(15)7-11(10)14/h3-8,13,17H,2H2,1H3
InChIKeyGBCMIZZMUQPYLB-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499
N-[(4-chloro-2,5-difluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860322
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(3-bromo-2,4-dimethoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 103523310
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992938

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine (CID 107993288) is N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1ccc(Cl)cc1Br.
What is the InChIKey of N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is GBCMIZZMUQPYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-2-17-13(12-8-16-5-6-18-12)10-4-3-9(15)7-11(10)14/h3-8,13,17H,2H2,1H3.
What are the key properties of N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 326.63 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 107993288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).