7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

C11H14ClNS — CID 83048836

IUPAC7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(Cl)cccc2C1N
InChIInChI=1S/C11H14ClNS/c1-2-4-9-10(13)7-5-3-6-8(12)11(7)14-9/h3,5-6,9-10H,2,4,13H2,1H3
InChIKeyQMBNODORIUHTAQ-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.61
Rot. Bonds2

About 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83048836) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83048836
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(Cl)cccc2C1N
InChIInChI=1S/C11H14ClNS/c1-2-4-9-10(13)7-5-3-6-8(12)11(7)14-9/h3,5-6,9-10H,2,4,13H2,1H3
InChIKeyQMBNODORIUHTAQ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83048836) is 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCC1Sc2c(Cl)cccc2C1N.
What is the InChIKey of 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is QMBNODORIUHTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-2-4-9-10(13)7-5-3-6-8(12)11(7)14-9/h3,5-6,9-10H,2,4,13H2,1H3.
What are the key properties of 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 227.76 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83048836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).