2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

C11H14ClNS — CID 83911363

IUPAC2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCC(CN)C1CSc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-4-8(12)2-3-9(10)11/h2-4,7,10H,5-6,13H2,1H3
InChIKeyVABMKRFIMCTBHI-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.12
Rot. Bonds2

About 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 83911363) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
PubChem CID83911363
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCC(CN)C1CSc2cc(Cl)ccc21
InChIInChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-4-8(12)2-3-9(10)11/h2-4,7,10H,5-6,13H2,1H3
InChIKeyVABMKRFIMCTBHI-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83911362
2-(6-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
CID 83910921
2-(8-chloro-3,4-dihydro-2H-thiochromen-4-yl)propan-1-amine
CID 83912697
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105086826
1-(1-aminopropan-2-yl)-2,3-dihydro-1H-inden-5-ol
CID 84663504
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901
2-(6-chloro-7-methyl-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83868516
(6-chloro-3,4-dihydro-2H-thiochromen-3-yl)methanamine
CID 82394109
8-chloro-2,3,4,4a,5,10b-hexahydro-1H-thiochromeno[4,3-b]pyridine
CID 83912553
4-chloro-2-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-N-methylbenzene-1,2-diamine
CID 107466174
6-chloro-3,4-dimethyl-2,3-dihydro-1,4-benzothiazine
CID 84621868

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (CID 83911363) is 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is CC(CN)C1CSc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is VABMKRFIMCTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-4-8(12)2-3-9(10)11/h2-4,7,10H,5-6,13H2,1H3.
What are the key properties of 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 227.76 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 83911363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).