2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide

C13H18F3N3O — CID 43572623

IUPAC2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C13H18F3N3O/c1-3-19(8-12(20)18-2)11-5-4-10(13(14,15)16)6-9(11)7-17/h4-6H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyVPKADEYBEWZIPL-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide

2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide (PubChem CID 43572623) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
PubChem CID43572623
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccc(C(F)(F)F)cc1CN
InChIInChI=1S/C13H18F3N3O/c1-3-19(8-12(20)18-2)11-5-4-10(13(14,15)16)6-9(11)7-17/h4-6H,3,7-8,17H2,1-2H3,(H,18,20)
InChIKeyVPKADEYBEWZIPL-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-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

Related Compounds

2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-4-(trifluoromethyl)aniline
CID 43587076
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
2-[4-(aminomethyl)-N-ethyl-3-methylanilino]-N-methylacetamide
CID 62136249
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43588100
2-N-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187678
3-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 115911072
2-[2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)anilino]ethanol
CID 107478462
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
2-[N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63059377
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide (CID 43572623) is 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide is CCN(CC(=O)NC)c1ccc(C(F)(F)F)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide?
The InChIKey is VPKADEYBEWZIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-3-19(8-12(20)18-2)11-5-4-10(13(14,15)16)6-9(11)7-17/h4-6H,3,7-8,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide?
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide has a molecular weight of 289.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide is sourced from PubChem (CID 43572623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).