N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine

C12H18FNS — CID 43286078

IUPACN-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCC
InChIInChI=1S/C12H18FNS/c1-4-14-9(3)11-8-10(13)6-7-12(11)15-5-2/h6-9,14H,4-5H2,1-3H3
InChIKeyHNPNZBVBGPMPFL-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.61
Rot. Bonds5

About N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine

N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine (PubChem CID 43286078) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
PubChem CID43286078
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCC
InChIInChI=1S/C12H18FNS/c1-4-14-9(3)11-8-10(13)6-7-12(11)15-5-2/h6-9,14H,4-5H2,1-3H3
InChIKeyHNPNZBVBGPMPFL-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

Analyze N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107750935
N-ethyl-1-[5-fluoro-2-(2-methylsulfonylethylsulfanyl)phenyl]ethanamine
CID 63659572
N-ethyl-1-[5-fluoro-2-(3-methoxypropylsulfanyl)phenyl]ethanamine
CID 55260348
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 43286467
(1S)-1-(2-ethylsulfanyl-5-fluorophenyl)ethanol
CID 63813957
N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385255
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
1-[4-(2,4-difluorophenyl)sulfanyl-3-fluorophenyl]-N-ethylethanamine
CID 43286578
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine (CID 43286078) is N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine is CCNC(C)c1cc(F)ccc1SCC.
What is the InChIKey of N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine?
The InChIKey is HNPNZBVBGPMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNS/c1-4-14-9(3)11-8-10(13)6-7-12(11)15-5-2/h6-9,14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine?
N-ethyl-1-(2-ethylsulfanyl-5-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-5-fluorophenyl)ethanamine is sourced from PubChem (CID 43286078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).