1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine

C11H14FNS — CID 163485688

IUPAC1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(c1C)CC(F)C=C2
InChIInChI=1S/C11H14FNS/c1-7-9-5-8(12)3-4-10(9)14-11(7)6-13-2/h3-4,8,13H,5-6H2,1-2H3
InChIKeyCIIKJRGMNZFXLG-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.68
Rot. Bonds2

About 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine

1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine (PubChem CID 163485688) has the molecular formula C11H14FNS and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
PubChem CID163485688
Molecular FormulaC11H14FNS
Molecular Weight211.30 g/mol
Exact Mass211.08
IUPAC Name1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1sc2c(c1C)CC(F)C=C2
InChIInChI=1S/C11H14FNS/c1-7-9-5-8(12)3-4-10(9)14-11(7)6-13-2/h3-4,8,13H,5-6H2,1-2H3
InChIKeyCIIKJRGMNZFXLG-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine (CID 163485688) is 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine is CNCc1sc2c(c1C)CC(F)C=C2.
What is the InChIKey of 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
The InChIKey is CIIKJRGMNZFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-7-9-5-8(12)3-4-10(9)14-11(7)6-13-2/h3-4,8,13H,5-6H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine?
1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-4,5-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 163485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).