1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H24F3NO — CID 103216095

IUPAC1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h11-12,17H,2-10H2,1H3
InChIKeyITKICPLSTYYOFR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216095) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216095
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C13H24F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h11-12,17H,2-10H2,1H3
InChIKeyITKICPLSTYYOFR-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216095) is 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ITKICPLSTYYOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-17-12(9-18-10-13(14,15)16)11-7-5-3-4-6-8-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).