2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide

C13H18F3N3O — CID 43588100

IUPAC2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H18F3N3O/c1-4-19(8-12(20)18(2)3)11-6-5-9(7-10(11)17)13(14,15)16/h5-7H,4,8,17H2,1-3H3
InChIKeyPBPHPTFRWCUCTG-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.20
Rot. Bonds4

About 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide

2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide (PubChem CID 43588100) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
PubChem CID43588100
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H18F3N3O/c1-4-19(8-12(20)18(2)3)11-6-5-9(7-10(11)17)13(14,15)16/h5-7H,4,8,17H2,1-3H3
InChIKeyPBPHPTFRWCUCTG-UHFFFAOYSA-N
XLogP2.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.20
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

1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]-N-methylacetamide
CID 43572623
3-[3-amino-4-(diethylamino)phenyl]-N,N-dimethylpropanamide
CID 39131014
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 102713102
2-[ethyl-[6-(methylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 102717832
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
2-[2-amino-N-ethyl-5-(methylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 82899999
2-(2-amino-4-nitro-N-propylanilino)-N,N-dimethylacetamide
CID 62506474
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N,N-diethylacetamide
CID 43247403
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide (CID 43588100) is 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
The InChIKey is PBPHPTFRWCUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-4-19(8-12(20)18(2)3)11-6-5-9(7-10(11)17)13(14,15)16/h5-7H,4,8,17H2,1-3H3.
What are the key properties of 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide?
2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide has a molecular weight of 289.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide is sourced from PubChem (CID 43588100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).