1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine

C17H20FNS — CID 106881610

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20FNS/c1-12-9-13(2)17(15(18)10-12)16(19-3)11-20-14-7-5-4-6-8-14/h4-10,16,19H,11H2,1-3H3
InChIKeyXELUFHOHSDXMJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine

1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine (PubChem CID 106881610) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
PubChem CID106881610
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1c(C)cc(C)cc1F
InChIInChI=1S/C17H20FNS/c1-12-9-13(2)17(15(18)10-12)16(19-3)11-20-14-7-5-4-6-8-14/h4-10,16,19H,11H2,1-3H3
InChIKeyXELUFHOHSDXMJS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
1,2,3,4,5-pentafluoro-6-[(1R)-2-phenylsulfanyl-1-(2,4,6-trimethylphenyl)ethyl]benzene
CID 10982736
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64614124
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
1-(2-fluoro-4,6-dimethylphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 106881889
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 106881379
1-(2-fluoro-4,6-dimethylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 106881494

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine (CID 106881610) is 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is XELUFHOHSDXMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c1-12-9-13(2)17(15(18)10-12)16(19-3)11-20-14-7-5-4-6-8-14/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine?
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 106881610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).