N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

C14H14F3N3O — CID 105141538

IUPACN-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cnc(C)cn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-9-7-20-11(8-19-9)13(18-2)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyJOCNWPXFFNRYCX-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.99
Rot. Bonds4

About N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine

N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 105141538) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID105141538
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1cnc(C)cn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-9-7-20-11(8-19-9)13(18-2)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,18H,1-2H3
InChIKeyJOCNWPXFFNRYCX-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105144951
N-methyl-1-(1,2,5-thiadiazol-3-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141525
1-(2-chlorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105099602
1-(2,3-difluorophenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105150783
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
N-methyl-1-(5-methylpyrazin-2-yl)-1-phenylmethanamine
CID 105083750
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471
N-methyl-1-(5-methylpyrazin-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 105155028
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
1-(5-fluoro-2-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 79713415
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 79712824

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine (CID 105141538) is N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is CNC(c1cnc(C)cn1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is JOCNWPXFFNRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9-7-20-11(8-19-9)13(18-2)10-5-3-4-6-12(10)21-14(15,16)17/h3-8,13,18H,1-2H3.
What are the key properties of N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine?
N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 297.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 105141538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).