1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride

C10H12ClNS — CID 16956076

IUPAC1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc2ccccc2s1.Cl
InChIInChI=1S/C10H11NS.ClH/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,11H,7H2,1H3;1H
InChIKeyPBEZSHRKTUDPLK-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.04
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride

1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride (PubChem CID 16956076) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride
PubChem CID16956076
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc2ccccc2s1.Cl
InChIInChI=1S/C10H11NS.ClH/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,11H,7H2,1H3;1H
InChIKeyPBEZSHRKTUDPLK-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride (CID 16956076) is 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride is CNCc1cc2ccccc2s1.Cl.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is PBEZSHRKTUDPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.ClH/c1-11-7-9-6-8-4-2-3-5-10(8)12-9;/h2-6,11H,7H2,1H3;1H.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride?
1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 16956076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).