1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C13H13BrFN3 — CID 62848282

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H13BrFN3/c1-9-5-18-12(8-17-9)7-16-6-10-2-3-11(15)4-13(10)14/h2-5,8,16H,6-7H2,1H3
InChIKeyDKUXUYYVLMHJLM-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 62848282) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID62848282
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc(F)cc2Br)cn1
InChIInChI=1S/C13H13BrFN3/c1-9-5-18-12(8-17-9)7-16-6-10-2-3-11(15)4-13(10)14/h2-5,8,16H,6-7H2,1H3
InChIKeyDKUXUYYVLMHJLM-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-(6-bromo-1,3-benzodioxol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847893
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 114842312
1-(2-bromo-4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 103698709
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 107730827
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
CID 28582593
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
N-[(2-bromo-4-fluorophenyl)methyl]-6-methylpyrazin-2-amine
CID 133468470
1-(2-bromo-4-fluorophenyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 78971593

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 62848282) is 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc(F)cc2Br)cn1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is DKUXUYYVLMHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-9-5-18-12(8-17-9)7-16-6-10-2-3-11(15)4-13(10)14/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 62848282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).