N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C13H24F3NO — CID 103215510

IUPACN-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCCC(C)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(8-18-9-13(14,15)16)11-6-4-5-10(2)7-11/h10-12,17H,3-9H2,1-2H3
InChIKeyQEWUBOHIQLNZSG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215510) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215510
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCCC(C)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(8-18-9-13(14,15)16)11-6-4-5-10(2)7-11/h10-12,17H,3-9H2,1-2H3
InChIKeyQEWUBOHIQLNZSG-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215510) is N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CCCC(C)C1.
What is the InChIKey of N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is QEWUBOHIQLNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-12(8-18-9-13(14,15)16)11-6-4-5-10(2)7-11/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).