2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

C11H14ClNS — CID 83911362

IUPAC2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCC(CN)C1CSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-3-2-8(12)4-9(10)11/h2-4,7,10H,5-6,13H2,1H3
InChIKeyLWYBRRRENBMSIQ-UHFFFAOYSA-N
MW227.76 g/mol
LogP3.12
Rot. Bonds2

About 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine

2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 83911362) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
PubChem CID83911362
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine
SMILESCC(CN)C1CSc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-3-2-8(12)4-9(10)11/h2-4,7,10H,5-6,13H2,1H3
InChIKeyLWYBRRRENBMSIQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine (CID 83911362) is 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is CC(CN)C1CSc2ccc(Cl)cc21.
What is the InChIKey of 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is LWYBRRRENBMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-7(5-13)10-6-14-11-3-2-8(12)4-9(10)11/h2-4,7,10H,5-6,13H2,1H3.
What are the key properties of 2-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine?
2-(5-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-(5-chloro-2,3-dihydro-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 83911362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).