2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C12H15F3N2O2 — CID 55159605

IUPAC2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)c(C)cc1N
InChIInChI=1S/C12H15F3N2O2/c1-7-4-10(8(2)3-9(7)16)19-5-11(18)17-6-12(13,14)15/h3-4H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyHZQTVFMWSCMNRM-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.94
Rot. Bonds4

About 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55159605) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55159605
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(OCC(=O)NCC(F)(F)F)c(C)cc1N
InChIInChI=1S/C12H15F3N2O2/c1-7-4-10(8(2)3-9(7)16)19-5-11(18)17-6-12(13,14)15/h3-4H,5-6,16H2,1-2H3,(H,17,18)
InChIKeyHZQTVFMWSCMNRM-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(4-amino-2,5-dimethylphenoxy)-N-methylacetamide
CID 63180957
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107655696
2-(5-amino-2,4-dimethylphenoxy)-N-propylacetamide
CID 114088084
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(2-acetyl-5-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60701199
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78947410
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
2-[2-[(1R)-1-hydroxyethyl]-5-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 63650448
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 55159605) is 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(OCC(=O)NCC(F)(F)F)c(C)cc1N.
What is the InChIKey of 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HZQTVFMWSCMNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7-4-10(8(2)3-9(7)16)19-5-11(18)17-6-12(13,14)15/h3-4H,5-6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55159605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).