2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O2 — CID 61109635

IUPAC2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)COc1ccccc1N
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(19)7-20-11-6-4-3-5-10(11)17/h3-6,9H,7-8,17H2,1-2H3
InChIKeyFCYDMGQESIDNCE-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61109635) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61109635
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)COc1ccccc1N
InChIInChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(19)7-20-11-6-4-3-5-10(11)17/h3-6,9H,7-8,17H2,1-2H3
InChIKeyFCYDMGQESIDNCE-UHFFFAOYSA-N
XLogP2.45
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutan-2-yl)-2-(2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 86895863
2-(2-aminophenoxy)-N-(3,3-dimethylbutan-2-yl)-N-methylacetamide
CID 61106876
2-(2-aminophenoxy)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693890
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093679
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556
3-(2-aminophenoxy)-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61107702
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-ethoxyaniline;propan-2-one
CID 517004
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 61109635) is 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)COc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FCYDMGQESIDNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(2)18(8-13(14,15)16)12(19)7-20-11-6-4-3-5-10(11)17/h3-6,9H,7-8,17H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61109635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).