1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C12H16F3NO — CID 16786810

IUPAC1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(C)c(C(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8-3-4-9(2)10(5-8)11(16)6-17-7-12(13,14)15/h3-5,11H,6-7,16H2,1-2H3
InChIKeyYMSOPGWAERZSGK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.88
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 16786810) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID16786810
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(C)c(C(N)COCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8-3-4-9(2)10(5-8)11(16)6-17-7-12(13,14)15/h3-5,11H,6-7,16H2,1-2H3
InChIKeyYMSOPGWAERZSGK-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 16786810) is 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is Cc1ccc(C)c(C(N)COCC(F)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is YMSOPGWAERZSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8-3-4-9(2)10(5-8)11(16)6-17-7-12(13,14)15/h3-5,11H,6-7,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 247.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 16786810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).