2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine

C14H21F2NS — CID 65136205

IUPAC2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)CC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NS/c1-4-10(3)18-9-14(17-5-2)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyZRSGFYGGLKDXIT-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.15
Rot. Bonds7

About 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine

2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine (PubChem CID 65136205) has the molecular formula C14H21F2NS and a molecular weight of 273.39 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
PubChem CID65136205
Molecular FormulaC14H21F2NS
Molecular Weight273.39 g/mol
Exact Mass273.14
IUPAC Name2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(CSC(C)CC)c1cc(F)cc(F)c1
InChIInChI=1S/C14H21F2NS/c1-4-10(3)18-9-14(17-5-2)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,4-5,9H2,1-3H3
InChIKeyZRSGFYGGLKDXIT-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-propan-2-ylsulfanylethanamine
CID 79704702
2-butan-2-ylsulfanyl-N-ethyl-1-phenylethanamine
CID 64613420
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
2-butan-2-ylsulfanyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64612599
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
N-ethyl-1-(3-fluoro-5-methylphenyl)butan-1-amine
CID 79705267
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-(3,5-difluorophenyl)propylhydrazine
CID 53402270

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine (CID 65136205) is 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine is CCNC(CSC(C)CC)c1cc(F)cc(F)c1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is ZRSGFYGGLKDXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NS/c1-4-10(3)18-9-14(17-5-2)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,4-5,9H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine?
2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 273.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(3,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 65136205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).