2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

C9H12ClNS — CID 83916169

IUPAC2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESCNC1CCc2sc(Cl)cc2C1
InChIInChI=1S/C9H12ClNS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h5,7,11H,2-4H2,1H3
InChIKeyGRCLSLRQTWHBLA-UHFFFAOYSA-N
MW201.72 g/mol
LogP2.48
Rot. Bonds1

About 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine

2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (PubChem CID 83916169) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
PubChem CID83916169
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Name2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESCNC1CCc2sc(Cl)cc2C1
InChIInChI=1S/C9H12ClNS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h5,7,11H,2-4H2,1H3
InChIKeyGRCLSLRQTWHBLA-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 20348975
3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine hydrochloride
CID 138991258
2-Chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine hydrochloride
CID 155978439
2-fluoro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
CID 176347682
N-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-amine;hydrochloride
CID 176347912
2-fluoro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-6-amine
CID 176348029
N-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-amine;hydrochloride
CID 176348143
N-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-amine
CID 176348144
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623619
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28623621
(1R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683186
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28683188

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The IUPAC name of 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine (CID 83916169) is 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine.
What is the SMILES notation for 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The canonical SMILES for 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is CNC1CCc2sc(Cl)cc2C1.
What is the InChIKey of 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The InChIKey is GRCLSLRQTWHBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-11-7-2-3-8-6(4-7)5-9(10)12-8/h5,7,11H,2-4H2,1H3.
What are the key properties of 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine has a molecular weight of 201.72 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4,5,6,7-tetrahydro-1-benzothiophen-5-amine is sourced from PubChem (CID 83916169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).