2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine

C20H20N2S — CID 18007543

IUPAC2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(-c3cc4ccccc4s3)cc21
InChIInChI=1S/C20H20N2S/c1-21(2)11-12-22-10-9-15-7-8-17(13-18(15)22)20-14-16-5-3-4-6-19(16)23-20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyFFUZMAXSOUKLJK-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.08
Rot. Bonds4

About 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine

2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine (PubChem CID 18007543) has the molecular formula C20H20N2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine
PubChem CID18007543
Molecular FormulaC20H20N2S
Molecular Weight320.46 g/mol
Exact Mass320.13
IUPAC Name2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccc2ccc(-c3cc4ccccc4s3)cc21
InChIInChI=1S/C20H20N2S/c1-21(2)11-12-22-10-9-15-7-8-17(13-18(15)22)20-14-16-5-3-4-6-19(16)23-20/h3-10,13-14H,11-12H2,1-2H3
InChIKeyFFUZMAXSOUKLJK-UHFFFAOYSA-N
XLogP5.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine (CID 18007543) is 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccc2ccc(-c3cc4ccccc4s3)cc21.
What is the InChIKey of 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine?
The InChIKey is FFUZMAXSOUKLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2S/c1-21(2)11-12-22-10-9-15-7-8-17(13-18(15)22)20-14-16-5-3-4-6-19(16)23-20/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine?
2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine has a molecular weight of 320.46 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzothiophen-2-yl)indol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 18007543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).