2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine

C16H23F2NS — CID 65144292

IUPAC2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-9-8-12(17)10-15(14)18/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyHZNXJMPTBUPQQV-UHFFFAOYSA-N
MW299.43 g/mol
LogP4.68
Rot. Bonds6

About 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine

2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine (PubChem CID 65144292) has the molecular formula C16H23F2NS and a molecular weight of 299.43 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
PubChem CID65144292
Molecular FormulaC16H23F2NS
Molecular Weight299.43 g/mol
Exact Mass299.15
IUPAC Name2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-9-8-12(17)10-15(14)18/h8-10,13,16,19H,2-7,11H2,1H3
InChIKeyHZNXJMPTBUPQQV-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
[1-(4-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227859
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
N-[2-cyclopentylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]propan-1-amine
CID 65140573
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-[2-cyclohexylsulfanyl-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 65144498

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine (CID 65144292) is 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine is CCNC(CSC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine?
The InChIKey is HZNXJMPTBUPQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NS/c1-2-19-16(11-20-13-6-4-3-5-7-13)14-9-8-12(17)10-15(14)18/h8-10,13,16,19H,2-7,11H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine?
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine has a molecular weight of 299.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65144292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).