2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine

C17H19ClFNS — CID 102622794

IUPAC2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(SC)cc1
InChIInChI=1S/C17H19ClFNS/c1-3-20-17(12-4-7-15(21-2)8-5-12)11-13-10-14(19)6-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyQMLNJJCFXGAXEK-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.09
Rot. Bonds6

About 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 102622794) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID102622794
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1Cl)c1ccc(SC)cc1
InChIInChI=1S/C17H19ClFNS/c1-3-20-17(12-4-7-15(21-2)8-5-12)11-13-10-14(19)6-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3
InChIKeyQMLNJJCFXGAXEK-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.86
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 102618480
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 102622580
1-(4-bromo-3-methylphenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622870
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-pyridin-3-ylethanamine
CID 102618519
1-(4-chloro-3-fluorophenyl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995692
N-[1-(4-bromophenyl)-2-(2-chloro-5-fluorophenyl)ethyl]propan-1-amine
CID 102618475
2-(2-bromo-5-fluorophenyl)-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 81494920
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 102618857
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine (CID 102622794) is 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine is CCNC(Cc1cc(F)ccc1Cl)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is QMLNJJCFXGAXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c1-3-20-17(12-4-7-15(21-2)8-5-12)11-13-10-14(19)6-9-16(13)18/h4-10,17,20H,3,11H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 323.86 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 102622794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).