4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine

C14H20FNOS — CID 113348816

IUPAC4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(CCS(C)=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-10(8-9-18(2)17)16-14-7-6-11-12(14)4-3-5-13(11)15/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyKAPCAWVPQUIJJM-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.56
Rot. Bonds5

About 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 113348816) has the molecular formula C14H20FNOS and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID113348816
Molecular FormulaC14H20FNOS
Molecular Weight269.38 g/mol
Exact Mass269.12
IUPAC Name4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCC(CCS(C)=O)NC1CCc2c(F)cccc21
InChIInChI=1S/C14H20FNOS/c1-10(8-9-18(2)17)16-14-7-6-11-12(14)4-3-5-13(11)15/h3-5,10,14,16H,6-9H2,1-2H3
InChIKeyKAPCAWVPQUIJJM-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 81327848
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
4-fluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 83067010
4-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79490334
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
1-(5-methylhexan-2-ylamino)-2,3-dihydro-1H-inden-4-ol
CID 43637043
3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103785152

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine (CID 113348816) is 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine is CC(CCS(C)=O)NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KAPCAWVPQUIJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNOS/c1-10(8-9-18(2)17)16-14-7-6-11-12(14)4-3-5-13(11)15/h3-5,10,14,16H,6-9H2,1-2H3.
What are the key properties of 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 269.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methylsulfinylbutan-2-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113348816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).