2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O2 — CID 54961587

IUPAC2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(N)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7-2-3-8(15)4-9(7)18-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyRENPPHHMKOTPMR-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.63
Rot. Bonds4

About 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54961587) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54961587
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(N)cc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-7-2-3-8(15)4-9(7)18-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17)
InChIKeyRENPPHHMKOTPMR-UHFFFAOYSA-N
XLogP1.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.63
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-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-[5-(aminomethyl)-2-methylphenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107655696
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(5-amino-2-methylphenoxy)-N-propan-2-ylacetamide
CID 43520249
methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 54961587) is 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(N)cc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RENPPHHMKOTPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7-2-3-8(15)4-9(7)18-5-10(17)16-6-11(12,13)14/h2-4H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54961587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).