2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine

C13H17F2NS — CID 65139295

IUPAC2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CSC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13H,1-4,8,16H2
InChIKeyFQORSHIVTMZOTN-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine

2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine (PubChem CID 65139295) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
PubChem CID65139295
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC Name2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine
SMILESNC(CSC1CCCC1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13H,1-4,8,16H2
InChIKeyFQORSHIVTMZOTN-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanamine
CID 65138607
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclohexyloxy-1-(2,5-difluorophenyl)ethanamine
CID 16793773
1-(3-bromo-2,6-difluorophenyl)-2-cyclopentylsulfanylethanamine
CID 106942562
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
CID 107523541
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
2-cyclopentylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807188
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105397841

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine (CID 65139295) is 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine is NC(CSC1CCCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine?
The InChIKey is FQORSHIVTMZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c14-9-5-6-12(15)11(7-9)13(16)8-17-10-3-1-2-4-10/h5-7,10,13H,1-4,8,16H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine?
2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 65139295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).