N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide

C11H13F3N2O2 — CID 18673201

IUPACN-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCOc1ccccc1N)C(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(10(17)11(12,13)14)6-7-18-9-5-3-2-4-8(9)15/h2-5H,6-7,15H2,1H3
InChIKeyJGHVLZQQXRDBNZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 18673201) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID18673201
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCOc1ccccc1N)C(=O)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-16(10(17)11(12,13)14)6-7-18-9-5-3-2-4-8(9)15/h2-5H,6-7,15H2,1H3
InChIKeyJGHVLZQQXRDBNZ-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 18673201) is N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCOc1ccccc1N)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is JGHVLZQQXRDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(10(17)11(12,13)14)6-7-18-9-5-3-2-4-8(9)15/h2-5H,6-7,15H2,1H3.
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 262.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 18673201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).