1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

C10H12ClNS — CID 83909904

IUPAC1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCC(N)C1CSc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3
InChIKeyAPQLTLWHLRSOBI-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.88
Rot. Bonds1

About 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine

1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (PubChem CID 83909904) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
PubChem CID83909904
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
SMILESCC(N)C1CSc2c(Cl)cccc21
InChIInChI=1S/C10H12ClNS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3
InChIKeyAPQLTLWHLRSOBI-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
CID 83912697
7-chloro-2,3-dihydro-1-benzothiophen-3-ol
CID 13162405
1-(7-chloro-1-propan-2-yl-2,3-dihydroindol-3-yl)ethanamine
CID 83868807
4-chloro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 70369546
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
1-[4-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-3-yl]ethanamine
CID 117199287
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
1-(7-chloro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 105449608
8-chloro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356779
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
8-chloro-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 82391144

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The IUPAC name of 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine (CID 83909904) is 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine.
What is the SMILES notation for 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The canonical SMILES for 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is CC(N)C1CSc2c(Cl)cccc21.
What is the InChIKey of 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
The InChIKey is APQLTLWHLRSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-4,6,8H,5,12H2,1H3.
What are the key properties of 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine?
1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine has a molecular weight of 213.73 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dihydro-1-benzothiophen-3-yl)ethanamine is sourced from PubChem (CID 83909904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).