N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

C13H17F3N2O2 — CID 103205571

IUPACN-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(N)c(NC(=O)CCOCC(F)(F)F)c1C
InChIInChI=1S/C13H17F3N2O2/c1-8-3-4-10(17)12(9(8)2)18-11(19)5-6-20-7-13(14,15)16/h3-4H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyCSXBJAIJXZUKAC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.79
Rot. Bonds5

About N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103205571) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103205571
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(N)c(NC(=O)CCOCC(F)(F)F)c1C
InChIInChI=1S/C13H17F3N2O2/c1-8-3-4-10(17)12(9(8)2)18-11(19)5-6-20-7-13(14,15)16/h3-4H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyCSXBJAIJXZUKAC-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
N-(6-amino-2,3-dimethylphenyl)-2-propoxyacetamide
CID 107937406
N-(3-hydroxy-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103208640
2-chloro-N-[2,3-dimethyl-6-(2,2,2-trifluoroethoxymethyl)phenyl]acetamide
CID 155581589
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
N-[4-(aminomethyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 16792149
N-(6-amino-2,3-dimethylphenyl)-3,4,4-trimethylpentanamide
CID 55259550
N-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005070
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 71942657
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005218
1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103433078

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103205571) is N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is Cc1ccc(N)c(NC(=O)CCOCC(F)(F)F)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CSXBJAIJXZUKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-8-3-4-10(17)12(9(8)2)18-11(19)5-6-20-7-13(14,15)16/h3-4H,5-7,17H2,1-2H3,(H,18,19).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 290.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103205571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).