2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine

C17H18FNS — CID 63820160

IUPAC2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18FNS/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2
InChIKeyPLLYPXQZACFOMV-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.97
Rot. Bonds4

About 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine

2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine (PubChem CID 63820160) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
PubChem CID63820160
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
SMILESNCCc1cc(F)ccc1Sc1ccc2c(c1)CCC2
InChIInChI=1S/C17H18FNS/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2
InChIKeyPLLYPXQZACFOMV-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]methyl]ethanamine
CID 63808332
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-[2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]ethanamine
CID 63803303
[5-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]methanol
CID 114865485
[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3,5-difluorophenyl]methanol
CID 63812811
2-amino-6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-3-fluorobenzoic acid
CID 83207426
2-(5-fluoro-2-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836009
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-4-ethoxy-5-fluoroaniline
CID 63593075
2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 61070182
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
CID 61305967
2-[5-fluoro-2-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63819371
[2-(3-chlorophenyl)sulfanyl-5-fluorophenyl]methanamine
CID 63674010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine (CID 63820160) is 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine is NCCc1cc(F)ccc1Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine?
The InChIKey is PLLYPXQZACFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-15-5-7-17(14(10-15)8-9-19)20-16-6-4-12-2-1-3-13(12)11-16/h4-7,10-11H,1-3,8-9,19H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine?
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine has a molecular weight of 287.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 63820160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).