4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

C19H20FNOS — CID 11255956

IUPAC4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1
InChIInChI=1S/C19H20FNOS/c1-13-3-5-18(16(11-13)14-7-9-21-10-8-14)23-19-6-4-15(22-2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyOATQNDQPFGUZFU-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.67
Rot. Bonds4

About 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine

4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11255956) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11255956
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1
InChIInChI=1S/C19H20FNOS/c1-13-3-5-18(16(11-13)14-7-9-21-10-8-14)23-19-6-4-15(22-2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyOATQNDQPFGUZFU-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11416793
4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11278091
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 71742594
4-(2-fluoro-4-propan-2-ylphenyl)-1,2,3,6-tetrahydropyridine
CID 176586824
2-(2-fluoro-4-methoxyphenyl)-4-methylphenol
CID 83130401
4-(2-methoxy-3,4-dimethylphenyl)-1,2,3,6-tetrahydropyridine
CID 103434255
4-[2-(2-bromophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
CID 11163779
5-(3-methoxyphenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71262155
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)-4-methoxyphenyl]sulfanyl-4-methoxybenzene
CID 141399604
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
4-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
CID 156733025

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine (CID 11255956) is 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is COc1ccc(Sc2ccc(C)cc2C2=CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OATQNDQPFGUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-13-3-5-18(16(11-13)14-7-9-21-10-8-14)23-19-6-4-15(22-2)12-17(19)20/h3-7,11-12,21H,8-10H2,1-2H3.
What are the key properties of 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 329.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluoro-4-methoxyphenyl)sulfanyl-5-methylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11255956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).