1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

C14H20F3N3O — CID 105178723

IUPAC1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1nccnc1OC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O/c1-18-11(12-13(21-2)20-7-6-19-12)9-4-3-5-10(8-9)14(15,16)17/h6-7,9-11,18H,3-5,8H2,1-2H3
InChIKeyJSYWVFJMVQFIJT-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine

1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105178723) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105178723
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCNC(c1nccnc1OC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H20F3N3O/c1-18-11(12-13(21-2)20-7-6-19-12)9-4-3-5-10(8-9)14(15,16)17/h6-7,9-11,18H,3-5,8H2,1-2H3
InChIKeyJSYWVFJMVQFIJT-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethylcyclohexyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515704
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105102442
[(3-methoxypyrazin-2-yl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233232
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105031831
2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylethanamine
CID 105032213
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105286260
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
1-(2-chloro-5-fluorophenyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105397310
tert-butyl 3-[(3-methoxypyrazin-2-yl)-(methylamino)methyl]pyrrolidine-1-carboxylate
CID 107092671
(3-methoxypyrazin-2-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105178714
1-cycloheptyl-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105176373

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 105178723) is 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is CNC(c1nccnc1OC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is JSYWVFJMVQFIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-18-11(12-13(21-2)20-7-6-19-12)9-4-3-5-10(8-9)14(15,16)17/h6-7,9-11,18H,3-5,8H2,1-2H3.
What are the key properties of 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine?
1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 303.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).