[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

C13H24F3NO — CID 65400454

IUPAC[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-2-11-4-3-5-12(8-11,9-17)6-7-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyLMOJBRDGQGOKJO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds6

About [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (PubChem CID 65400454) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
PubChem CID65400454
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCCC1CCCC(CN)(CCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-2-11-4-3-5-12(8-11,9-17)6-7-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyLMOJBRDGQGOKJO-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexyl]methanamine
CID 104568544
[1-(2-butoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394946
[3-ethyl-1-(2-propan-2-ylsulfonylethyl)cyclohexyl]methanamine
CID 106734053
[1-(2-ethoxyethyl)-4-ethylcyclohexyl]methanamine
CID 65394943
2-(aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 65394225
3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 65408887
1-[1-(aminomethyl)-3-ethylcyclohexyl]cyclohexan-1-ol
CID 79127098
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
[3-ethyl-1-(2-methylpentyl)cyclohexyl]methanamine
CID 65401872
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2,5-dimethylcyclohexan-1-ol
CID 79125926

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (CID 65400454) is [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is CCC1CCCC(CN)(CCOCC(F)(F)F)C1.
What is the InChIKey of [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is LMOJBRDGQGOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-11-4-3-5-12(8-11,9-17)6-7-18-10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
[3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 65400454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).