2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C15H24F3N3 — CID 105165968

IUPAC2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCn1ccnc1CC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-3-21-9-8-20-14(21)10-13(19-2)11-6-4-5-7-12(11)15(16,17)18/h8-9,11-13,19H,3-7,10H2,1-2H3
InChIKeyORJDJAFNHTZWPP-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.40
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165968) has the molecular formula C15H24F3N3 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165968
Molecular FormulaC15H24F3N3
Molecular Weight303.37 g/mol
Exact Mass303.19
IUPAC Name2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCn1ccnc1CC(NC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N3/c1-3-21-9-8-20-14(21)10-13(19-2)11-6-4-5-7-12(11)15(16,17)18/h8-9,11-13,19H,3-7,10H2,1-2H3
InChIKeyORJDJAFNHTZWPP-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
2-(1-ethylimidazol-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751513
[1-cycloheptyl-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105232129
3-cyclopropyl-1-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 105009408
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
4-cyclopentyl-1-(1-ethylimidazol-2-yl)butan-2-amine
CID 105009415
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
3-(1-ethylimidazol-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516863
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105167192
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105139095

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165968) is 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is CCn1ccnc1CC(NC)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is ORJDJAFNHTZWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3/c1-3-21-9-8-20-14(21)10-13(19-2)11-6-4-5-7-12(11)15(16,17)18/h8-9,11-13,19H,3-7,10H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 303.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).