1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

C12H11ClFN3 — CID 63969023

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11ClFN3/c1-15-12(11-7-16-4-5-17-11)8-2-3-10(14)9(13)6-8/h2-7,12,15H,1H3
InChIKeyDMFPOURBGWJGIJ-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.58
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine

1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 63969023) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID63969023
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1ccc(F)c(Cl)c1)c1cnccn1
InChIInChI=1S/C12H11ClFN3/c1-15-12(11-7-16-4-5-17-11)8-2-3-10(14)9(13)6-8/h2-7,12,15H,1H3
InChIKeyDMFPOURBGWJGIJ-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
1-(3,5-dichlorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860583
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
N-methyl-1-(6-methyl-3-pyridinyl)-1-pyrazin-2-ylmethanamine
CID 63156012
1-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712635

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 63969023) is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1ccc(F)c(Cl)c1)c1cnccn1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is DMFPOURBGWJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-15-12(11-7-16-4-5-17-11)8-2-3-10(14)9(13)6-8/h2-7,12,15H,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine has a molecular weight of 251.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 63969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).