1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine

C15H15ClFNS — CID 43286131

IUPAC1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNS/c1-10(18-2)14-9-12(17)5-8-15(14)19-13-6-3-11(16)4-7-13/h3-10,18H,1-2H3
InChIKeyWZMASDRFOABFFZ-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.91
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine

1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine (PubChem CID 43286131) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
PubChem CID43286131
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1cc(F)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNS/c1-10(18-2)14-9-12(17)5-8-15(14)19-13-6-3-11(16)4-7-13/h3-10,18H,1-2H3
InChIKeyWZMASDRFOABFFZ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-difluorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 43519080
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
2-[4-fluoro-2-[1-(methylamino)ethyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 61295849
1-(5-fluoro-2-propylsulfanylphenyl)-N-methylethanamine
CID 43286109
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
1-[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-N-methylethanamine
CID 60877704
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluorophenyl]-N-methylethanamine
CID 55070494
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-[3-chloro-4-(2,5-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 63533351
1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine
CID 43345405
2-(4-chlorophenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 43482863
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine (CID 43286131) is 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine is CNC(C)c1cc(F)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
The InChIKey is WZMASDRFOABFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c1-10(18-2)14-9-12(17)5-8-15(14)19-13-6-3-11(16)4-7-13/h3-10,18H,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine?
1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine has a molecular weight of 295.81 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 43286131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).