1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine

C10H10ClNS — CID 6424818

IUPAC1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1Cl
InChIInChI=1S/C10H10ClNS/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3
InChIKeyQCYSKGORFDRMGB-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.27
Rot. Bonds2

About 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine

1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 6424818) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID6424818
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2ccccc2c1Cl
InChIInChI=1S/C10H10ClNS/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3
InChIKeyQCYSKGORFDRMGB-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 6424818) is 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2ccccc2c1Cl.
What is the InChIKey of 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is QCYSKGORFDRMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-12-6-9-10(11)7-4-2-3-5-8(7)13-9/h2-5,12H,6H2,1H3.
What are the key properties of 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 211.72 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 6424818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).