ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate

C14H18F3NO3 — CID 164576666

IUPACethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCCN)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-2-20-13(19)6-4-10-3-5-12(21-8-7-18)11(9-10)14(15,16)17/h3,5,9H,2,4,6-8,18H2,1H3
InChIKeyUILFZPOASRNMQT-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.54
Rot. Bonds7

About ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate

ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate (PubChem CID 164576666) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
PubChem CID164576666
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Nameethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCCN)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO3/c1-2-20-13(19)6-4-10-3-5-12(21-8-7-18)11(9-10)14(15,16)17/h3,5,9H,2,4,6-8,18H2,1H3
InChIKeyUILFZPOASRNMQT-UHFFFAOYSA-N
XLogP2.54
TPSA61.55 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-(2-aminoethoxy)-3-fluorophenyl]propanoate;hydrochloride
CID 164576661
methyl 3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanoate
CID 63949541
methyl 3-[4-heptoxy-3-(trifluoromethyl)phenyl]propanoate
CID 143869085
3-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]propanamide
CID 63320724
ethyl 3-[3-(difluoromethoxy)-4-(trifluoromethyl)phenyl]propanoate
CID 134632499
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
ethyl 6-[4-(2-aminoethyl)-2-fluorophenoxy]hexanoate
CID 107692722
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588
ethyl 3-[2-(trifluoromethyl)phenoxy]propanoate
CID 43365238
2-[4-[2-(diethylamino)ethoxy]-3-(trifluoromethyl)phenyl]ethanamine
CID 63320243

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate (CID 164576666) is ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate is CCOC(=O)CCc1ccc(OCCN)c(C(F)(F)F)c1.
What is the InChIKey of ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate?
The InChIKey is UILFZPOASRNMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-2-20-13(19)6-4-10-3-5-12(21-8-7-18)11(9-10)14(15,16)17/h3,5,9H,2,4,6-8,18H2,1H3.
What are the key properties of ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate?
ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate has a molecular weight of 305.30 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(2-aminoethoxy)-3-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 164576666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).