1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H24F3NO — CID 103215472

IUPAC1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C13H24F3NO/c1-9-4-5-11(6-10(9)2)12(17-3)7-18-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyULTADGJISOADAG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.23
Rot. Bonds5

About 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215472) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215472
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)C1CCC(C)C(C)C1
InChIInChI=1S/C13H24F3NO/c1-9-4-5-11(6-10(9)2)12(17-3)7-18-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3
InChIKeyULTADGJISOADAG-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215472) is 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ULTADGJISOADAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9-4-5-11(6-10(9)2)12(17-3)7-18-8-13(14,15)16/h9-12,17H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).