2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C13H18F3NO — CID 16795037

IUPAC2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)11(17)6-18-7-13(14,15)16/h4-5,11H,6-7,17H2,1-3H3
InChIKeyYNXMHWKBHDKDRH-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 16795037) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID16795037
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(C(N)COCC(F)(F)F)c(C)c1
InChIInChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)11(17)6-18-7-13(14,15)16/h4-5,11H,6-7,17H2,1-3H3
InChIKeyYNXMHWKBHDKDRH-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 16795037) is 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(C(N)COCC(F)(F)F)c(C)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is YNXMHWKBHDKDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)11(17)6-18-7-13(14,15)16/h4-5,11H,6-7,17H2,1-3H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 261.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 16795037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).