N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine

C17H19F2NS — CID 66053094

IUPACN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1cc(F)ccc1C
InChIInChI=1S/C17H19F2NS/c1-3-20-16(14-10-13(18)9-8-12(14)2)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyJMWRHBQQDYTBLP-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.72
Rot. Bonds6

About N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine

N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine (PubChem CID 66053094) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
PubChem CID66053094
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC NameN-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1F)c1cc(F)ccc1C
InChIInChI=1S/C17H19F2NS/c1-3-20-16(14-10-13(18)9-8-12(14)2)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3
InChIKeyJMWRHBQQDYTBLP-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 106645738
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
2-(2,4-difluorophenyl)-N-ethyl-1-(5-fluoro-2-methylphenyl)ethanamine
CID 62388925
N-[1-(4-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66051528
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfanyl-N-methylethanamine
CID 64619889

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine (CID 66053094) is N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine is CCNC(CSc1ccccc1F)c1cc(F)ccc1C.
What is the InChIKey of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
The InChIKey is JMWRHBQQDYTBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-3-20-16(14-10-13(18)9-8-12(14)2)11-21-17-7-5-4-6-15(17)19/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine?
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 66053094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).