2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

C13H20F3N3 — CID 105167192

IUPAC2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1ccnc1CC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-19-7-6-18-12(19)8-11(17)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-11H,2-5,8,17H2,1H3
InChIKeyGWIBXJVABHXSBK-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.66
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine

2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105167192) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105167192
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1ccnc1CC(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-19-7-6-18-12(19)8-11(17)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-11H,2-5,8,17H2,1H3
InChIKeyGWIBXJVABHXSBK-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
4-cyclohexyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 115580373
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105113600
N-[(1-methylimidazol-2-yl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105149558
2-(1-methylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761258
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011503
[4-cyclopentyl-1-(1-methylimidazol-2-yl)butan-2-yl]hydrazine
CID 105322962
2-(1-ethylimidazol-2-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105165968
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
1-cyclopentyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 105011635
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine (CID 105167192) is 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is Cn1ccnc1CC(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is GWIBXJVABHXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-19-7-6-18-12(19)8-11(17)9-4-2-3-5-10(9)13(14,15)16/h6-7,9-11H,2-5,8,17H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine?
2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105167192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).