4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine

C15H18N2S — CID 79840672

IUPAC4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCC1(C)CCCc2sc(N)c(-c3ccccn3)c21
InChIInChI=1S/C15H18N2S/c1-15(2)8-5-7-11-13(15)12(14(16)18-11)10-6-3-4-9-17-10/h3-4,6,9H,5,7-8,16H2,1-2H3
InChIKeyLNMVAVBDMSBCCK-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.01
Rot. Bonds1

About 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine

4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine (PubChem CID 79840672) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine
PubChem CID79840672
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine
SMILESCC1(C)CCCc2sc(N)c(-c3ccccn3)c21
InChIInChI=1S/C15H18N2S/c1-15(2)8-5-7-11-13(15)12(14(16)18-11)10-6-3-4-9-17-10/h3-4,6,9H,5,7-8,16H2,1-2H3
InChIKeyLNMVAVBDMSBCCK-UHFFFAOYSA-N
XLogP4.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Pyrid-3-ylthien-2-YL)methylamine
CID 11206290
4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridine
CID 11277481
N-Methyl-(5-pyrid-3-ylthien-2-yl)methylamine
CID 11321674
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 46884063
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N,N-dimethyl-2-(3-(1-(3-methylpyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11500781
(-)-(R)-2-(1-(2-(2-(pyrrolidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine
CID 11508317
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11515125
4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-2-methyl-pyridine
CID 11551077
(+)-(S)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 11551351
Benzo[B]thiophene-2-ethanamine, N,N-dimethyl-3-[1-(2-pyridinyl)ethyl]-
CID 11580426
Benzo(b)thiophene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)-
CID 11580427

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The IUPAC name of 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine (CID 79840672) is 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine.
What is the SMILES notation for 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The canonical SMILES for 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine is CC1(C)CCCc2sc(N)c(-c3ccccn3)c21.
What is the InChIKey of 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine?
The InChIKey is LNMVAVBDMSBCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-15(2)8-5-7-11-13(15)12(14(16)18-11)10-6-3-4-9-17-10/h3-4,6,9H,5,7-8,16H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine?
4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-pyridin-2-yl-6,7-dihydro-5H-1-benzothiophen-2-amine is sourced from PubChem (CID 79840672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).