[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine

C12H12BrN3O — CID 82827554

IUPAC[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2
InChIKeyJZIFOUSNIKPEBP-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.28
Rot. Bonds4

About [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine

[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine (PubChem CID 82827554) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
PubChem CID82827554
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCc1ccccc1Br
InChIInChI=1S/C12H12BrN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2
InChIKeyJZIFOUSNIKPEBP-UHFFFAOYSA-N
XLogP2.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828202
[5-[(2-bromophenyl)methoxy]-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 82831312
[3-(thiophen-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 62684174
1-[2-[(2-bromophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 82831764
[6-[(2-bromophenyl)methoxy]-2-pyridinyl]methanamine
CID 82828361
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
[6-[(2-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828442
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
CID 62684504
2-[(2-bromophenyl)methoxy]-3-fluoropyridine-4-carboxylic acid
CID 105380097
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
6-[(2-bromophenyl)methoxy]-5-methylpyridin-3-amine
CID 82827886

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The IUPAC name of [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine (CID 82827554) is [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The canonical SMILES for [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine is NCc1nccnc1OCc1ccccc1Br.
What is the InChIKey of [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
The InChIKey is JZIFOUSNIKPEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-4-2-1-3-9(10)8-17-12-11(7-14)15-5-6-16-12/h1-6H,7-8,14H2.
What are the key properties of [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine?
[3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine has a molecular weight of 294.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromophenyl)methoxy]pyrazin-2-yl]methanamine is sourced from PubChem (CID 82827554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).