2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine

C19H23FN2OS — CID 50997223

IUPAC2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2c(OCc3ccsc3)cc(F)cc21
InChIInChI=1S/C19H23FN2OS/c1-4-22-11-15(5-7-21(2)3)19-17(22)9-16(20)10-18(19)23-12-14-6-8-24-13-14/h6,8-11,13H,4-5,7,12H2,1-3H3
InChIKeyCUMBRLUNORYPRP-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.54
Rot. Bonds7

About 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine

2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine (PubChem CID 50997223) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
PubChem CID50997223
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine
SMILESCCn1cc(CCN(C)C)c2c(OCc3ccsc3)cc(F)cc21
InChIInChI=1S/C19H23FN2OS/c1-4-22-11-15(5-7-21(2)3)19-17(22)9-16(20)10-18(19)23-12-14-6-8-24-13-14/h6,8-11,13H,4-5,7,12H2,1-3H3
InChIKeyCUMBRLUNORYPRP-UHFFFAOYSA-N
XLogP4.54
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine (CID 50997223) is 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine is CCn1cc(CCN(C)C)c2c(OCc3ccsc3)cc(F)cc21.
What is the InChIKey of 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is CUMBRLUNORYPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-4-22-11-15(5-7-21(2)3)19-17(22)9-16(20)10-18(19)23-12-14-6-8-24-13-14/h6,8-11,13H,4-5,7,12H2,1-3H3.
What are the key properties of 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine?
2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 346.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-6-fluoro-4-(thiophen-3-ylmethoxy)indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 50997223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).