7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

C12H16FNS — CID 83049418

IUPAC7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(F)cccc2C1NC
InChIInChI=1S/C12H16FNS/c1-3-5-10-11(14-2)8-6-4-7-9(13)12(8)15-10/h4,6-7,10-11,14H,3,5H2,1-2H3
InChIKeyCGWGBUVTLOXJLZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.36
Rot. Bonds3

About 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine

7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 83049418) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID83049418
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCCC1Sc2c(F)cccc2C1NC
InChIInChI=1S/C12H16FNS/c1-3-5-10-11(14-2)8-6-4-7-9(13)12(8)15-10/h4,6-7,10-11,14H,3,5H2,1-2H3
InChIKeyCGWGBUVTLOXJLZ-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine (CID 83049418) is 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is CCCC1Sc2c(F)cccc2C1NC.
What is the InChIKey of 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is CGWGBUVTLOXJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c1-3-5-10-11(14-2)8-6-4-7-9(13)12(8)15-10/h4,6-7,10-11,14H,3,5H2,1-2H3.
What are the key properties of 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine?
7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 225.33 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 83049418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).