1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C14H20FNOS — CID 75428270

IUPAC1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCc2ccc(F)cc21
InChIInChI=1S/C14H20FNOS/c1-14(17,9-18-2)8-16-13-6-4-10-3-5-11(15)7-12(10)13/h3,5,7,13,16-17H,4,6,8-9H2,1-2H3
InChIKeyUJERFHWRWFALCN-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds5

About 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 75428270) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID75428270
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNC1CCc2ccc(F)cc21
InChIInChI=1S/C14H20FNOS/c1-14(17,9-18-2)8-16-13-6-4-10-3-5-11(15)7-12(10)13/h3,5,7,13,16-17H,4,6,8-9H2,1-2H3
InChIKeyUJERFHWRWFALCN-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 75428270) is 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNC1CCc2ccc(F)cc21.
What is the InChIKey of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is UJERFHWRWFALCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-14(17,9-18-2)8-16-13-6-4-10-3-5-11(15)7-12(10)13/h3,5,7,13,16-17H,4,6,8-9H2,1-2H3.
What are the key properties of 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 269.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 75428270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).