ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate

C21H24F3NO2 — CID 21019920

IUPACethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
SMILESCCOC(=O)CN(C)CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO2/c1-3-27-20(26)15-25(2)14-13-19(16-7-5-4-6-8-16)17-9-11-18(12-10-17)21(22,23)24/h4-12,19H,3,13-15H2,1-2H3
InChIKeyQOYQCRPPYTZOMP-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.72
Rot. Bonds8

About ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate

ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate (PubChem CID 21019920) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
PubChem CID21019920
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Nameethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
SMILESCCOC(=O)CN(C)CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO2/c1-3-27-20(26)15-25(2)14-13-19(16-7-5-4-6-8-16)17-9-11-18(12-10-17)21(22,23)24/h4-12,19H,3,13-15H2,1-2H3
InChIKeyQOYQCRPPYTZOMP-UHFFFAOYSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate (CID 21019920) is ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate is CCOC(=O)CN(C)CCC(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
The InChIKey is QOYQCRPPYTZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-3-27-20(26)15-25(2)14-13-19(16-7-5-4-6-8-16)17-9-11-18(12-10-17)21(22,23)24/h4-12,19H,3,13-15H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate?
ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate has a molecular weight of 379.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]amino]acetate is sourced from PubChem (CID 21019920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).