[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate

C19H21F3N2O4 — CID 164745360

IUPAC[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H21F3N2O4/c1-4-26-13-7-5-8-14(27-12-11-24(2)3)17(13)18(25)28-16-10-6-9-15(23-16)19(20,21)22/h5-10H,4,11-12H2,1-3H3
InChIKeyNUUBZXIWOQWCGD-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.66
Rot. Bonds8

About [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate

[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate (PubChem CID 164745360) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate.

Molecular Properties

Compound Name[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
PubChem CID164745360
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)Oc1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H21F3N2O4/c1-4-26-13-7-5-8-14(27-12-11-24(2)3)17(13)18(25)28-16-10-6-9-15(23-16)19(20,21)22/h5-10H,4,11-12H2,1-3H3
InChIKeyNUUBZXIWOQWCGD-UHFFFAOYSA-N
XLogP3.66
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate with MolForge

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Related Compounds

2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 164971040
1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
CID 71450597
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
CID 176689227
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
3-methyl-1-[[6-(trifluoromethyl)-2-pyridinyl]oxy]butan-2-one
CID 135265126
2-(2,2,2-trifluoroethoxy)ethyl 2-amino-6-ethoxybenzoate
CID 81396529
tert-butyl 2-ethoxy-6-hydroxybenzoate
CID 155056489
2-(8-chloro-4-ethoxyquinolin-2-yl)oxy-N,N-dimethylethanamine
CID 70990293
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
CID 155753759
phenyl 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
CID 175166222
N,N-dimethyl-2-[1-[3-(trifluoromethyl)phenyl]sulfonylindol-4-yl]oxyethanamine;2,2,2-trifluoroacetic acid
CID 23501244
2-butyl-4-methylsulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;4-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-phenylbenzamide;methane
CID 157397638

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate?
The IUPAC name of [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate (CID 164745360) is [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate.
What is the SMILES notation for [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate?
The canonical SMILES for [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate is CCOc1cccc(OCCN(C)C)c1C(=O)Oc1cccc(C(F)(F)F)n1.
What is the InChIKey of [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate?
The InChIKey is NUUBZXIWOQWCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-4-26-13-7-5-8-14(27-12-11-24(2)3)17(13)18(25)28-16-10-6-9-15(23-16)19(20,21)22/h5-10H,4,11-12H2,1-3H3.
What are the key properties of [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate?
[6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate has a molecular weight of 398.38 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-2-pyridinyl] 2-[2-(dimethylamino)ethoxy]-6-ethoxybenzoate is sourced from PubChem (CID 164745360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).