methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate

C13H16F3NO2 — CID 62650602

IUPACmethyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
SMILESCOC(=O)CCCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-17(9-3-4-12(18)19-2)11-7-5-10(6-8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyWYCMNVBCWMUXAN-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.09
Rot. Bonds5

About methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate

methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate (PubChem CID 62650602) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate.

Molecular Properties

Compound Namemethyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
PubChem CID62650602
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Namemethyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
SMILESCOC(=O)CCCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-17(9-3-4-12(18)19-2)11-7-5-10(6-8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3
InChIKeyWYCMNVBCWMUXAN-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate 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

methyl 6-oxo-6-[4-(trifluoromethyl)phenyl]hexanoate
CID 146008143
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
methyl 9-oxo-9-[4-(trifluoromethyl)anilino]nonanoate
CID 2741082
methyl 4-[(5-tert-butyl-2-pyridinyl)-methylamino]butanoate
CID 107875425
methyl 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]butanoate
CID 115233351
methyl 3-(4-ethoxy-N-methylanilino)propanoate
CID 115232288
methyl 5-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxopentanoate
CID 146009587
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
CID 70976882
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654
N-methyl-N-[3-[4-(trifluoromethyl)phenoxy]propyl]aniline
CID 15871812
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 4-[methyl(trifluoromethylsulfonyl)amino]butanoate
CID 55208594

Frequently Asked Questions

What is the IUPAC name of methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate?
The IUPAC name of methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate (CID 62650602) is methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate.
What is the SMILES notation for methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate?
The canonical SMILES for methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate is COC(=O)CCCN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate?
The InChIKey is WYCMNVBCWMUXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-17(9-3-4-12(18)19-2)11-7-5-10(6-8-11)13(14,15)16/h5-8H,3-4,9H2,1-2H3.
What are the key properties of methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate?
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate has a molecular weight of 275.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate is sourced from PubChem (CID 62650602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).