2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O2 — CID 61104642

IUPAC2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)COc1cccc(N)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(7-11(12,13)14)10(17)6-18-9-4-2-3-8(15)5-9/h2-5H,6-7,15H2,1H3
InChIKeyJGAOXZRRHMUQDK-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.67
Rot. Bonds4

About 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61104642) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61104642
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)COc1cccc(N)c1
InChIInChI=1S/C11H13F3N2O2/c1-16(7-11(12,13)14)10(17)6-18-9-4-2-3-8(15)5-9/h2-5H,6-7,15H2,1H3
InChIKeyJGAOXZRRHMUQDK-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'}

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Related Compounds

2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833595
2-(3-aminophenoxy)-N-methyl-N-pentan-2-ylacetamide
CID 61093481
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
2-(3-aminophenoxy)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79303945
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61104642) is 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JGAOXZRRHMUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-16(7-11(12,13)14)10(17)6-18-9-4-2-3-8(15)5-9/h2-5H,6-7,15H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide 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 2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61104642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).