N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine

C15H24FNS — CID 107750935

IUPACN-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCCC(C)C
InChIInChI=1S/C15H24FNS/c1-5-17-12(4)14-10-13(16)6-7-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyGHHJQXZXWUDFDB-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.63
Rot. Bonds7

About N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine

N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine (PubChem CID 107750935) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
PubChem CID107750935
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC NameN-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1SCCC(C)C
InChIInChI=1S/C15H24FNS/c1-5-17-12(4)14-10-13(16)6-7-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyGHHJQXZXWUDFDB-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
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
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
1-[2-chloro-4-(3-methylbutylsulfanyl)phenyl]-N-ethylethanamine
CID 107750950
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
N-ethyl-1-[5-fluoro-2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385255
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine (CID 107750935) is N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine is CCNC(C)c1cc(F)ccc1SCCC(C)C.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine?
The InChIKey is GHHJQXZXWUDFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-5-17-12(4)14-10-13(16)6-7-15(14)18-9-8-11(2)3/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(3-methylbutylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 107750935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).