1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine

C13H18FNS — CID 63114882

IUPAC1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1SC1CCCC1
InChIInChI=1S/C13H18FNS/c1-9(15)13-11(14)7-4-8-12(13)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6,15H2,1H3
InChIKeyJSPBVLIFVUCQON-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine

1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine (PubChem CID 63114882) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
PubChem CID63114882
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
SMILESCC(N)c1c(F)cccc1SC1CCCC1
InChIInChI=1S/C13H18FNS/c1-9(15)13-11(14)7-4-8-12(13)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6,15H2,1H3
InChIKeyJSPBVLIFVUCQON-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine?
The IUPAC name of 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine (CID 63114882) is 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine is CC(N)c1c(F)cccc1SC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine?
The InChIKey is JSPBVLIFVUCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-9(15)13-11(14)7-4-8-12(13)16-10-5-2-3-6-10/h4,7-10H,2-3,5-6,15H2,1H3.
What are the key properties of 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine?
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine is sourced from PubChem (CID 63114882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).