N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine

C20H24N2S — CID 11500781

IUPACN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1
InChIKeyKJQCJXUDPPZASI-OAHLLOKOSA-N
MW324.49 g/mol
LogP4.86
Rot. Bonds5

About N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine

N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine (PubChem CID 11500781) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
PubChem CID11500781
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC NameN,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12
InChIInChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1
InChIKeyKJQCJXUDPPZASI-OAHLLOKOSA-N
XLogP4.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine 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

3-(3-Thienyl)quinoline
CID 10242258
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine (CID 11500781) is N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine is Cc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
The InChIKey is KJQCJXUDPPZASI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N2S/c1-14-8-7-12-21-20(14)15(2)19-16-9-5-6-10-17(16)23-18(19)11-13-22(3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine?
N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine has a molecular weight of 324.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 11500781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).