2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine

C15H24FNS — CID 106881599

IUPAC2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
SMILESCCC(C)SCC(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H24FNS/c1-6-12(4)18-9-14(17-5)15-11(3)7-10(2)8-13(15)16/h7-8,12,14,17H,6,9H2,1-5H3
InChIKeyJPBRQOURRSVWNK-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.23
Rot. Bonds6

About 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine

2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine (PubChem CID 106881599) has the molecular formula C15H24FNS and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
PubChem CID106881599
Molecular FormulaC15H24FNS
Molecular Weight269.43 g/mol
Exact Mass269.16
IUPAC Name2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
SMILESCCC(C)SCC(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C15H24FNS/c1-6-12(4)18-9-14(17-5)15-11(3)7-10(2)8-13(15)16/h7-8,12,14,17H,6,9H2,1-5H3
InChIKeyJPBRQOURRSVWNK-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107763634
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanol
CID 106881058
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
[2-butan-2-ylsulfanyl-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105227053
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine (CID 106881599) is 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine is CCC(C)SCC(NC)c1c(C)cc(C)cc1F.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
The InChIKey is JPBRQOURRSVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNS/c1-6-12(4)18-9-14(17-5)15-11(3)7-10(2)8-13(15)16/h7-8,12,14,17H,6,9H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine?
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine has a molecular weight of 269.43 g/mol, XLogP of 4.23, 6 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-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 106881599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).