2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

C13H24F3NO — CID 105165204

IUPAC2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(COCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(9-18-4-2)10-6-5-7-11(8-10)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyJVXLHFVNKMYSSV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds6

About 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine

2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 105165204) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID105165204
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCCNC(COCC)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-17-12(9-18-4-2)10-6-5-7-11(8-10)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyJVXLHFVNKMYSSV-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 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine (CID 105165204) is 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is CCNC(COCC)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is JVXLHFVNKMYSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-12(9-18-4-2)10-6-5-7-11(8-10)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine?
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]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 2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 105165204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).