1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine

C13H14FNOS — CID 114000808

IUPAC1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
SMILESCc1occc1Sc1cccc(F)c1C(C)N
InChIInChI=1S/C13H14FNOS/c1-8(15)13-10(14)4-3-5-12(13)17-11-6-7-16-9(11)2/h3-8H,15H2,1-2H3
InChIKeyGNGCQIVMRLIVGC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.90
Rot. Bonds3

About 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine

1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine (PubChem CID 114000808) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
PubChem CID114000808
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
SMILESCc1occc1Sc1cccc(F)c1C(C)N
InChIInChI=1S/C13H14FNOS/c1-8(15)13-10(14)4-3-5-12(13)17-11-6-7-16-9(11)2/h3-8H,15H2,1-2H3
InChIKeyGNGCQIVMRLIVGC-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
1-[2-(2-methylfuran-3-yl)sulfanylphenyl]propan-2-amine
CID 107783655
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
(1S)-1-[4-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780668
1-[2-fluoro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 61347453
1-(2-fluoro-6-propylsulfanylphenyl)ethanamine
CID 43189262
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 78938952
(1R)-1-[2-fluoro-6-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 55184818

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine (CID 114000808) is 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine is Cc1occc1Sc1cccc(F)c1C(C)N.
What is the InChIKey of 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine?
The InChIKey is GNGCQIVMRLIVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8(15)13-10(14)4-3-5-12(13)17-11-6-7-16-9(11)2/h3-8H,15H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine?
1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 114000808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).