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

C10H12ClNS — CID 117201005

IUPAC1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Cl)ccc2S1
InChIInChI=1S/C10H12ClNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3
InChIKeyDCUJHHDZNZBRRV-UHFFFAOYSA-N
MW213.73 g/mol
LogP2.70
Rot. Bonds1

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

1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 117201005) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
PubChem CID117201005
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)C1Cc2cc(Cl)ccc2S1
InChIInChI=1S/C10H12ClNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3
InChIKeyDCUJHHDZNZBRRV-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine (CID 117201005) is 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is CC(N)C1Cc2cc(Cl)ccc2S1.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is DCUJHHDZNZBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNS/c1-6(12)10-5-7-4-8(11)2-3-9(7)13-10/h2-4,6,10H,5,12H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine?
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 213.73 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 117201005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).