ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate

C14H18F3NO2 — CID 60786030

IUPACethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
SMILESCCNC(C)(C(=O)OCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-4-18-13(3,12(19)20-5-2)10-8-6-7-9-11(10)14(15,16)17/h6-9,18H,4-5H2,1-3H3
InChIKeyVLWZFWXZLGEKTD-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.09
Rot. Bonds5

About ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate

ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate (PubChem CID 60786030) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
PubChem CID60786030
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate
SMILESCCNC(C)(C(=O)OCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-4-18-13(3,12(19)20-5-2)10-8-6-7-9-11(10)14(15,16)17/h6-9,18H,4-5H2,1-3H3
InChIKeyVLWZFWXZLGEKTD-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
ethyl 2-(2-chlorophenyl)-2-(methylamino)propanoate
CID 60788388
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
ethyl 2-(2-fluorophenyl)-2-(prop-2-enylamino)propanoate
CID 55063479
ethyl 2-(2-bromophenyl)-2-(2-methoxyethylamino)propanoate
CID 62540113
ethyl 2-anilino-2-[4-(trifluoromethyl)phenyl]propanoate
CID 59200602
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
ethyl 2-(2-chlorophenyl)-2-(cyclopropylamino)propanoate
CID 54918219
ethyl (3S)-3-amino-2,2-difluoro-3-[2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171248576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate (CID 60786030) is ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate is CCNC(C)(C(=O)OCC)c1ccccc1C(F)(F)F.
What is the InChIKey of ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate?
The InChIKey is VLWZFWXZLGEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-4-18-13(3,12(19)20-5-2)10-8-6-7-9-11(10)14(15,16)17/h6-9,18H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate?
ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate has a molecular weight of 289.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-[2-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 60786030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).