2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate

C13H16F3NO3 — CID 70633501

IUPAC2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
SMILESCOc1cccc(N(CCOC(C)=O)CC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-10(18)20-7-6-17(9-13(14,15)16)11-4-3-5-12(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyAZLLBCWSWHLJOG-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.63
Rot. Bonds6

About 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate

2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate (PubChem CID 70633501) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate.

Molecular Properties

Compound Name2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
PubChem CID70633501
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
SMILESCOc1cccc(N(CCOC(C)=O)CC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3/c1-10(18)20-7-6-17(9-13(14,15)16)11-4-3-5-12(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyAZLLBCWSWHLJOG-UHFFFAOYSA-N
XLogP2.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
CID 54399203
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
2,2,2-trifluoro-N-(3-methoxyphenyl)-N-methylacetamide
CID 64593233
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103857335
2-[N-(2-acetyloxyethyl)-3-(methanesulfonamido)anilino]ethyl acetate
CID 21455561
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
1-(2-hydroxyethyl)-1-(3-methoxyphenyl)urea
CID 91413546
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
2-[N-(3-aminopropyl)-3-methoxyanilino]-1-pyrrolidin-1-ylethanone
CID 43136387

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate?
The IUPAC name of 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate (CID 70633501) is 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate.
What is the SMILES notation for 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate?
The canonical SMILES for 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate is COc1cccc(N(CCOC(C)=O)CC(F)(F)F)c1.
What is the InChIKey of 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate?
The InChIKey is AZLLBCWSWHLJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-10(18)20-7-6-17(9-13(14,15)16)11-4-3-5-12(8-11)19-2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate?
2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate has a molecular weight of 291.27 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate is sourced from PubChem (CID 70633501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).