6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

C18H20FNO2S — CID 86783194

IUPAC6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)CCc1ccc(NC2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)11-10-13-2-7-16(8-3-13)20-18-9-5-14-4-6-15(19)12-17(14)18/h2-4,6-8,12,18,20H,5,9-11H2,1H3
InChIKeyMREVGOPNBHSXFL-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.51
Rot. Bonds5

About 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine

6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 86783194) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID86783194
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine
SMILESCS(=O)(=O)CCc1ccc(NC2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2S/c1-23(21,22)11-10-13-2-7-16(8-3-13)20-18-9-5-14-4-6-15(19)12-17(14)18/h2-4,6-8,12,18,20H,5,9-11H2,1H3
InChIKeyMREVGOPNBHSXFL-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine (CID 86783194) is 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is CS(=O)(=O)CCc1ccc(NC2CCc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MREVGOPNBHSXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-23(21,22)11-10-13-2-7-16(8-3-13)20-18-9-5-14-4-6-15(19)12-17(14)18/h2-4,6-8,12,18,20H,5,9-11H2,1H3.
What are the key properties of 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine?
6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 333.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(2-methylsulfonylethyl)phenyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 86783194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).