ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate

C14H18F3NO3 — CID 103246942

IUPACethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
SMILESCCOC(=O)COCCNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-3-21-13(19)9-20-7-6-18-11-5-4-10(2)12(8-11)14(15,16)17/h4-5,8,18H,3,6-7,9H2,1-2H3
InChIKeyAKOUFSITXPRQTL-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.01
Rot. Bonds7

About ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate

ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate (PubChem CID 103246942) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
PubChem CID103246942
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nameethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
SMILESCCOC(=O)COCCNc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-3-21-13(19)9-20-7-6-18-11-5-4-10(2)12(8-11)14(15,16)17/h4-5,8,18H,3,6-7,9H2,1-2H3
InChIKeyAKOUFSITXPRQTL-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(3-bromoanilino)ethoxy]acetate
CID 103234447
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
CID 103237096
ethyl 2-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]acetate
CID 60706555
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606
methyl 2-hydroxy-2-methyl-3-[4-methyl-3-(trifluoromethyl)anilino]propanoate
CID 104644261
ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
CID 103232811
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
4-(2-butoxyethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709477
ethyl 1-[2-[4-methyl-3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxylate
CID 55477689
ethyl 2-[2-(5-bromo-4-fluoro-2-methylanilino)ethoxy]acetate
CID 107592905
2-[2-[4-nitro-3-(trifluoromethyl)anilino]ethoxy]acetic acid
CID 79468494
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate (CID 103246942) is ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate is CCOC(=O)COCCNc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate?
The InChIKey is AKOUFSITXPRQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-3-21-13(19)9-20-7-6-18-11-5-4-10(2)12(8-11)14(15,16)17/h4-5,8,18H,3,6-7,9H2,1-2H3.
What are the key properties of ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate?
ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate has a molecular weight of 305.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate is sourced from PubChem (CID 103246942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).