N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine

C18H20N2S — CID 46884062

IUPACN-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1
InChIInChI=1S/C18H20N2S/c1-13(15-8-5-6-11-20-15)18-14-7-3-4-9-16(14)21-17(18)10-12-19-2/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m0/s1
InChIKeyVMZBJCIUNPGQKF-ZDUSSCGKSA-N
MW296.44 g/mol
LogP4.21
Rot. Bonds5

About N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine

N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (PubChem CID 46884062) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
PubChem CID46884062
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine
SMILESCNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1
InChIInChI=1S/C18H20N2S/c1-13(15-8-5-6-11-20-15)18-14-7-3-4-9-16(14)21-17(18)10-12-19-2/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m0/s1
InChIKeyVMZBJCIUNPGQKF-ZDUSSCGKSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Thienyl)quinoline
CID 10242258
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
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
(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
Dimethyl-[2-(5-thiophen-2-yl-1H-indol-3-yl)-ethyl]-amine
CID 11402988
Dimethyl-[2-(5-thiophen-3-yl-1H-indol-3-yl)-ethyl]-amine
CID 44214329
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
2-(1H-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3745859

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine (CID 46884062) is N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1.
What is the InChIKey of N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
The InChIKey is VMZBJCIUNPGQKF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2S/c1-13(15-8-5-6-11-20-15)18-14-7-3-4-9-16(14)21-17(18)10-12-19-2/h3-9,11,13,19H,10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine?
N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophen-2-yl]ethanamine is sourced from PubChem (CID 46884062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).