ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate

C20H22F3NO2 — CID 68627660

IUPACethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCCNCc1c(CC(=O)OCC)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-3-24-13-18-15(12-19(25)26-4-2)6-5-7-17(18)14-8-10-16(11-9-14)20(21,22)23/h5-11,24H,3-4,12-13H2,1-2H3
InChIKeyIBXMGCTYUJYCNK-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.59
Rot. Bonds7

About ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate

ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate (PubChem CID 68627660) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
PubChem CID68627660
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Nameethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCCNCc1c(CC(=O)OCC)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H22F3NO2/c1-3-24-13-18-15(12-19(25)26-4-2)6-5-7-17(18)14-8-10-16(11-9-14)20(21,22)23/h5-11,24H,3-4,12-13H2,1-2H3
InChIKeyIBXMGCTYUJYCNK-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 154453908
2-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetamide
CID 19105323
ethyl 2-(4-amino-3-iodophenyl)acetate;ethyl 2-[4-amino-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 69338991
2-(bromomethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 154400697
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
4-[3-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]benzoic acid
CID 68632003
ethyl 2-[3-methyl-2-(trifluoromethyl)phenyl]acetate
CID 134633126
2-[(dimethylamino)methyl]-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 91445016
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2441220
prop-2-enyl 2-[2-ethyl-3-(4-hydroxyphenyl)phenyl]acetate
CID 86241422
ethyl 2-[4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl]acetate
CID 70444859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate?
The IUPAC name of ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate (CID 68627660) is ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate is CCNCc1c(CC(=O)OCC)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate?
The InChIKey is IBXMGCTYUJYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-3-24-13-18-15(12-19(25)26-4-2)6-5-7-17(18)14-8-10-16(11-9-14)20(21,22)23/h5-11,24H,3-4,12-13H2,1-2H3.
What are the key properties of ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate?
ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate has a molecular weight of 365.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethylaminomethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate is sourced from PubChem (CID 68627660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).