2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine

C18H21FN2OS — CID 50995449

IUPAC2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(C)c2ccc(F)c(OCc3cccs3)c12
InChIInChI=1S/C18H21FN2OS/c1-20(2)9-8-13-11-21(3)16-7-6-15(19)18(17(13)16)22-12-14-5-4-10-23-14/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKLEMPAAYSQIWIC-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.06
Rot. Bonds6

About 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine

2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine (PubChem CID 50995449) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
PubChem CID50995449
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(C)c2ccc(F)c(OCc3cccs3)c12
InChIInChI=1S/C18H21FN2OS/c1-20(2)9-8-13-11-21(3)16-7-6-15(19)18(17(13)16)22-12-14-5-4-10-23-14/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKLEMPAAYSQIWIC-UHFFFAOYSA-N
XLogP4.06
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine (CID 50995449) is 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1cn(C)c2ccc(F)c(OCc3cccs3)c12.
What is the InChIKey of 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is KLEMPAAYSQIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-20(2)9-8-13-11-21(3)16-7-6-15(19)18(17(13)16)22-12-14-5-4-10-23-14/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 332.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-methyl-4-(thiophen-2-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 50995449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).