1-(2-fluoro-6-propylsulfanylphenyl)ethanamine

C11H16FNS — CID 43189262

IUPAC1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cccc(F)c1C(C)N
InChIInChI=1S/C11H16FNS/c1-3-7-14-10-6-4-5-9(12)11(10)8(2)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyYEOGJKLNYPITSE-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.35
Rot. Bonds4

About 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine

1-(2-fluoro-6-propylsulfanylphenyl)ethanamine (PubChem CID 43189262) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
PubChem CID43189262
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
SMILESCCCSc1cccc(F)c1C(C)N
InChIInChI=1S/C11H16FNS/c1-3-7-14-10-6-4-5-9(12)11(10)8(2)13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyYEOGJKLNYPITSE-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-6-pentylsulfanylphenyl)ethanamine
CID 107750658
3-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]sulfanylpropan-1-ol
CID 66114322
(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55184818
(1R)-1-[2-[(2-chlorophenyl)methylsulfanyl]-6-fluorophenyl]ethanamine
CID 103288688
(1R)-1-[2-fluoro-6-(2-hydroxyethylsulfanyl)phenyl]ethanol
CID 63836108
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114066197
(1R)-1-[2-fluoro-6-(3-methoxypropylsulfanyl)phenyl]ethanol
CID 63855818
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
1-(2-cyclohexylsulfanyl-6-fluorophenyl)ethanamine
CID 60886597
1-(2-cyclopentylsulfanyl-6-fluorophenyl)ethanamine
CID 63114882

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine (CID 43189262) is 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine is CCCSc1cccc(F)c1C(C)N.
What is the InChIKey of 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine?
The InChIKey is YEOGJKLNYPITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-3-7-14-10-6-4-5-9(12)11(10)8(2)13/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine?
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-propylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43189262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).