N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine

C13H20FNS — CID 43286071

IUPACN-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1SCC
InChIInChI=1S/C13H20FNS/c1-4-9-15-10(3)13-11(14)7-6-8-12(13)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCHPXNRAKZZRPME-UHFFFAOYSA-N
MW241.37 g/mol
LogP4.00
Rot. Bonds6

About N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine

N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine (PubChem CID 43286071) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
PubChem CID43286071
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC NameN-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1SCC
InChIInChI=1S/C13H20FNS/c1-4-9-15-10(3)13-11(14)7-6-8-12(13)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyCHPXNRAKZZRPME-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine (CID 43286071) is N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1SCC.
What is the InChIKey of N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is CHPXNRAKZZRPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-4-9-15-10(3)13-11(14)7-6-8-12(13)16-5-2/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine?
N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylsulfanyl-6-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).