2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine

C20H22F2N2OS — CID 178014867

IUPAC2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cccc(SCc3ccccc3OC(F)F)c12
InChIInChI=1S/C20H22F2N2OS/c1-24(2)11-10-14-12-23-16-7-5-9-18(19(14)16)26-13-15-6-3-4-8-17(15)25-20(21)22/h3-9,12,20,23H,10-11,13H2,1-2H3
InChIKeyVGFOZPANKMPUME-UHFFFAOYSA-N
MW376.47 g/mol
LogP5.17
Rot. Bonds8

About 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine

2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 178014867) has the molecular formula C20H22F2N2OS and a molecular weight of 376.47 g/mol. Its IUPAC name is 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID178014867
Molecular FormulaC20H22F2N2OS
Molecular Weight376.47 g/mol
Exact Mass376.14
IUPAC Name2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cccc(SCc3ccccc3OC(F)F)c12
InChIInChI=1S/C20H22F2N2OS/c1-24(2)11-10-14-12-23-16-7-5-9-18(19(14)16)26-13-15-6-3-4-8-17(15)25-20(21)22/h3-9,12,20,23H,10-11,13H2,1-2H3
InChIKeyVGFOZPANKMPUME-UHFFFAOYSA-N
XLogP5.17
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethylphosphonic acid
CID 156821130
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 4,4-dimethylpentanoate
CID 167476981
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
4-amino-5-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-5-oxopentanoic acid
CID 176651471
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (3-methylbutan-2-yldisulfanyl)formate
CID 170212264
2-[4-(thiophen-3-ylmethylsulfanyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine
CID 178015105
2-[4-(difluoromethylsulfonyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 178014897
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] N-amino-N-propan-2-ylsulfanylcarbamate
CID 167476910

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 178014867) is 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2cccc(SCc3ccccc3OC(F)F)c12.
What is the InChIKey of 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is VGFOZPANKMPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2OS/c1-24(2)11-10-14-12-23-16-7-5-9-18(19(14)16)26-13-15-6-3-4-8-17(15)25-20(21)22/h3-9,12,20,23H,10-11,13H2,1-2H3.
What are the key properties of 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 376.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 178014867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).