1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine

C10H10FNS — CID 81105075

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccc(F)cc2s1
InChIInChI=1S/C10H10FNS/c1-12-6-9-4-7-2-3-8(11)5-10(7)13-9/h2-5,12H,6H2,1H3
InChIKeyGPDZATAHMAWADL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.76
Rot. Bonds2

About 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 81105075) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID81105075
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc2ccc(F)cc2s1
InChIInChI=1S/C10H10FNS/c1-12-6-9-4-7-2-3-8(11)5-10(7)13-9/h2-5,12H,6H2,1H3
InChIKeyGPDZATAHMAWADL-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 81105075) is 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1cc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is GPDZATAHMAWADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-12-6-9-4-7-2-3-8(11)5-10(7)13-9/h2-5,12H,6H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 195.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).