6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

C19H18F3NO3 — CID 134832559

IUPAC6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c[nH]c3cc(C(F)(F)F)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H18F3NO3/c1-24-16-7-11(8-17(25-2)18(16)26-3)6-12-10-23-15-9-13(19(20,21)22)4-5-14(12)15/h4-5,7-10,23H,6H2,1-3H3
InChIKeyOEEROSSATUQEBM-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.80
Rot. Bonds5

About 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (PubChem CID 134832559) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
PubChem CID134832559
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c[nH]c3cc(C(F)(F)F)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H18F3NO3/c1-24-16-7-11(8-17(25-2)18(16)26-3)6-12-10-23-15-9-13(19(20,21)22)4-5-14(12)15/h4-5,7-10,23H,6H2,1-3H3
InChIKeyOEEROSSATUQEBM-UHFFFAOYSA-N
XLogP4.80
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole;hydrochloride
CID 175085793
methyl 2-amino-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 166609475
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
methyl 3-oxo-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 82667620
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377467
1-ethyl-3-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111377466
6-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117178516
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377106
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
4-methoxy-7-(trifluoromethyl)quinoline;7-(trifluoromethyl)-1H-quinolin-4-one
CID 160718502

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (CID 134832559) is 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is COc1cc(Cc2c[nH]c3cc(C(F)(F)F)ccc23)cc(OC)c1OC.
What is the InChIKey of 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The InChIKey is OEEROSSATUQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-24-16-7-11(8-17(25-2)18(16)26-3)6-12-10-23-15-9-13(19(20,21)22)4-5-14(12)15/h4-5,7-10,23H,6H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole has a molecular weight of 365.35 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 134832559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).