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

C17H19ClFNS — CID 105395121

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNS/c1-3-20-16(14-10-13(19)8-9-15(14)18)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBUFKRJNNIMEFPH-UHFFFAOYSA-N
MW323.86 g/mol
LogP5.23
Rot. Bonds6

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

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 105395121) has the molecular formula C17H19ClFNS and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID105395121
Molecular FormulaC17H19ClFNS
Molecular Weight323.86 g/mol
Exact Mass323.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccccc1C)c1cc(F)ccc1Cl
InChIInChI=1S/C17H19ClFNS/c1-3-20-16(14-10-13(19)8-9-15(14)18)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3
InChIKeyBUFKRJNNIMEFPH-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105397872
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 66053094
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
1-(2,5-dichlorophenyl)-N-ethyl-2-(4-fluorophenyl)sulfanylethanamine
CID 66065312
2-(2,5-dichlorophenyl)sulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64619490
[1-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 102618615

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine (CID 105395121) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is CCNC(CSc1ccccc1C)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is BUFKRJNNIMEFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNS/c1-3-20-16(14-10-13(19)8-9-15(14)18)11-21-17-7-5-4-6-12(17)2/h4-10,16,20H,3,11H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 323.86 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 105395121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).