1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole

C24H26F3NO2 — CID 175599034

IUPAC1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole
SMILESFC(F)(F)c1ccccc1CCc1ccc2ccn(CCOC3CCCCO3)c2c1
InChIInChI=1S/C24H26F3NO2/c25-24(26,27)21-6-2-1-5-19(21)10-8-18-9-11-20-12-13-28(22(20)17-18)14-16-30-23-7-3-4-15-29-23/h1-2,5-6,9,11-13,17,23H,3-4,7-8,10,14-16H2
InChIKeyASYLWCAGGXAZHE-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.99
Rot. Bonds7

About 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole

1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole (PubChem CID 175599034) has the molecular formula C24H26F3NO2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole
PubChem CID175599034
Molecular FormulaC24H26F3NO2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole
SMILESFC(F)(F)c1ccccc1CCc1ccc2ccn(CCOC3CCCCO3)c2c1
InChIInChI=1S/C24H26F3NO2/c25-24(26,27)21-6-2-1-5-19(21)10-8-18-9-11-20-12-13-28(22(20)17-18)14-16-30-23-7-3-4-15-29-23/h1-2,5-6,9,11-13,17,23H,3-4,7-8,10,14-16H2
InChIKeyASYLWCAGGXAZHE-UHFFFAOYSA-N
XLogP5.99
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2S)-oxan-2-yl]oxyethyl]quinolin-4-one
CID 99837452
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
CID 100668376
2-chloro-4-[2-(oxan-2-yloxy)ethyl]phenol
CID 69449644
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
4-(oxan-2-yloxymethyl)-3-(trifluoromethyl)aniline
CID 91433320
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole?
The IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole (CID 175599034) is 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole?
The canonical SMILES for 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole is FC(F)(F)c1ccccc1CCc1ccc2ccn(CCOC3CCCCO3)c2c1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole?
The InChIKey is ASYLWCAGGXAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3NO2/c25-24(26,27)21-6-2-1-5-19(21)10-8-18-9-11-20-12-13-28(22(20)17-18)14-16-30-23-7-3-4-15-29-23/h1-2,5-6,9,11-13,17,23H,3-4,7-8,10,14-16H2.
What are the key properties of 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole?
1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole has a molecular weight of 417.47 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yloxy)ethyl]-6-[2-[2-(trifluoromethyl)phenyl]ethyl]indole is sourced from PubChem (CID 175599034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).