1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine

C13H13F2N3 — CID 105150783

IUPAC1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
SMILESCNC(c1cnc(C)cn1)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3/c1-8-6-18-11(7-17-8)13(16-2)9-4-3-5-10(14)12(9)15/h3-7,13,16H,1-2H3
InChIKeySMXJUMYWZRTYJZ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine

1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine (PubChem CID 105150783) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
PubChem CID105150783
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
SMILESCNC(c1cnc(C)cn1)c1cccc(F)c1F
InChIInChI=1S/C13H13F2N3/c1-8-6-18-11(7-17-8)13(16-2)9-4-3-5-10(14)12(9)15/h3-7,13,16H,1-2H3
InChIKeySMXJUMYWZRTYJZ-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357167
1-(2-chlorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105099602
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471
N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141538
[(2,6-difluorophenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105308106
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105144951
N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine
CID 105083750
N-methyl-1-(5-methylpyrazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155028
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 79725266
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
1-(furan-3-yl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105146643

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine (CID 105150783) is 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine is CNC(c1cnc(C)cn1)c1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine?
The InChIKey is SMXJUMYWZRTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-8-6-18-11(7-17-8)13(16-2)9-4-3-5-10(14)12(9)15/h3-7,13,16H,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine?
1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine has a molecular weight of 249.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine is sourced from PubChem (CID 105150783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).