1-(1-benzothiophen-3-yl)ethanamine;hydrochloride

C10H12ClNS — CID 70373336

IUPAC1-(1-benzothiophen-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1csc2ccccc12.Cl
InChIInChI=1S/C10H11NS.ClH/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;/h2-7H,11H2,1H3;1H
InChIKeyHBQPIEGNXUZBDW-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.34
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride

1-(1-benzothiophen-3-yl)ethanamine;hydrochloride (PubChem CID 70373336) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)ethanamine;hydrochloride
PubChem CID70373336
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name1-(1-benzothiophen-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1csc2ccccc12.Cl
InChIInChI=1S/C10H11NS.ClH/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;/h2-7H,11H2,1H3;1H
InChIKeyHBQPIEGNXUZBDW-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride (CID 70373336) is 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride is CC(N)c1csc2ccccc12.Cl.
What is the InChIKey of 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride?
The InChIKey is HBQPIEGNXUZBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.ClH/c1-7(11)9-6-12-10-5-3-2-4-8(9)10;/h2-7H,11H2,1H3;1H.
What are the key properties of 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride?
1-(1-benzothiophen-3-yl)ethanamine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 70373336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).