N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine

C12H18FNS — CID 43286072

IUPACN-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine
SMILESCCNC(C)c1c(F)cccc1SCC
InChIInChI=1S/C12H18FNS/c1-4-14-9(3)12-10(13)7-6-8-11(12)15-5-2/h6-9,14H,4-5H2,1-3H3
InChIKeyUNPYWYWBDBHVFT-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.61
Rot. Bonds5

About N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine

N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine (PubChem CID 43286072) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine
PubChem CID43286072
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine
SMILESCCNC(C)c1c(F)cccc1SCC
InChIInChI=1S/C12H18FNS/c1-4-14-9(3)12-10(13)7-6-8-11(12)15-5-2/h6-9,14H,4-5H2,1-3H3
InChIKeyUNPYWYWBDBHVFT-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine (CID 43286072) is N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine is CCNC(C)c1c(F)cccc1SCC.
What is the InChIKey of N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine?
The InChIKey is UNPYWYWBDBHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-4-14-9(3)12-10(13)7-6-8-11(12)15-5-2/h6-9,14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine?
N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine has a molecular weight of 227.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylsulfanyl-6-fluorophenyl)ethanamine is sourced from PubChem (CID 43286072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).