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

C13H13ClFN3 — CID 114842312

IUPAC1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3
InChIKeyJKWKZRZIQVZERV-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.87
Rot. Bonds4

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

1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 114842312) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID114842312
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2cc(Cl)ccc2F)cn1
InChIInChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3
InChIKeyJKWKZRZIQVZERV-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-nitrophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62845547
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
1-(2-bromo-4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848282
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-(5-chloro-2-fluorophenyl)-N-(chloromethyl)methanamine
CID 115263054
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 107730827
3-chloro-N'-hydroxy-4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzenecarboximidamide
CID 102667128
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581
N-(4-chlorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]acetamide
CID 62846100
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 80695023

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 114842312) is 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNCc2cc(Cl)ccc2F)cn1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is JKWKZRZIQVZERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-9-5-18-12(8-17-9)7-16-6-10-4-11(14)2-3-13(10)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 114842312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).