1-(6-chloro-1-benzothiophen-2-yl)ethanamine

C10H10ClNS — CID 18965426

IUPAC1-(6-chloro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-6H,12H2,1H3
InChIKeyKSQGUWGZPFFIAB-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.57
Rot. Bonds1

About 1-(6-chloro-1-benzothiophen-2-yl)ethanamine

1-(6-chloro-1-benzothiophen-2-yl)ethanamine (PubChem CID 18965426) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 1-(6-chloro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-1-benzothiophen-2-yl)ethanamine
PubChem CID18965426
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name1-(6-chloro-1-benzothiophen-2-yl)ethanamine
SMILESCC(N)c1cc2ccc(Cl)cc2s1
InChIInChI=1S/C10H10ClNS/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-6H,12H2,1H3
InChIKeyKSQGUWGZPFFIAB-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-(6-chloro-1-benzothiophen-2-yl)ethanamine (CID 18965426) is 1-(6-chloro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(6-chloro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(6-chloro-1-benzothiophen-2-yl)ethanamine is CC(N)c1cc2ccc(Cl)cc2s1.
What is the InChIKey of 1-(6-chloro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is KSQGUWGZPFFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-6(12)9-4-7-2-3-8(11)5-10(7)13-9/h2-6H,12H2,1H3.
What are the key properties of 1-(6-chloro-1-benzothiophen-2-yl)ethanamine?
1-(6-chloro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 211.72 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 18965426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).