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

C16H22FNS — CID 103779434

IUPAC4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCCC1NC1CCc2c(F)cccc21
InChIInChI=1S/C16H22FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h4-6,14-16,18H,2-3,7-10H2,1H3
InChIKeyNYXRCNFVWNHXEG-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.08
Rot. Bonds3

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

4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103779434) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103779434
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSC1CCCCC1NC1CCc2c(F)cccc21
InChIInChI=1S/C16H22FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h4-6,14-16,18H,2-3,7-10H2,1H3
InChIKeyNYXRCNFVWNHXEG-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(2-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 83065400
4-fluoro-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 81334417
N-cyclooctyl-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065945
N-[3-(2-fluorophenyl)cyclobutyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931829
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
N-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
5-chloro-N-(2-methylsulfanylcyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 113262270
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
N-[(1R)-1-cyclopentylethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065507
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 83065951
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 113262761

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine (CID 103779434) is 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is CSC1CCCCC1NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NYXRCNFVWNHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h4-6,14-16,18H,2-3,7-10H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103779434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).