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

C12H11ClFN3 — CID 64714340

IUPAC1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFN3/c1-15-12(10-7-16-5-6-17-10)8-3-2-4-9(13)11(8)14/h2-7,12,15H,1H3
InChIKeyQFAHIZIWRDOJIF-UHFFFAOYSA-N
MW251.69 g/mol
LogP2.58
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (PubChem CID 64714340) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
PubChem CID64714340
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
SMILESCNC(c1cnccn1)c1cccc(Cl)c1F
InChIInChI=1S/C12H11ClFN3/c1-15-12(10-7-16-5-6-17-10)8-3-2-4-9(13)11(8)14/h2-7,12,15H,1H3
InChIKeyQFAHIZIWRDOJIF-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

N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-methyl-1-naphthalen-1-yl-1-pyrazin-2-ylmethanamine
CID 62791384
1-(2,3-dimethylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085229
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
1-(3-bromo-2-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860344
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515629
N-methyl-1,1-di(pyrazin-2-yl)methanamine
CID 63968599
1-(2-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860660
1-(3-chloro-4-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969023
N-methyl-1-(4-propan-2-ylphenyl)-1-pyrazin-2-ylmethanamine
CID 55120381
1-(4-chloro-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860556

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine (CID 64714340) is 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is CNC(c1cnccn1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
The InChIKey is QFAHIZIWRDOJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-15-12(10-7-16-5-6-17-10)8-3-2-4-9(13)11(8)14/h2-7,12,15H,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine?
1-(3-chloro-2-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-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine is sourced from PubChem (CID 64714340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).