1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine

C16H17F2NS — CID 82822057

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H17F2NS/c1-11-8-9-13(17)15(16(11)18)14(19-2)10-20-12-6-4-3-5-7-12/h3-9,14,19H,10H2,1-2H3
InChIKeyQTQZWBFOWIDEPL-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine

1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine (PubChem CID 82822057) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
PubChem CID82822057
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
SMILESCNC(CSc1ccccc1)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H17F2NS/c1-11-8-9-13(17)15(16(11)18)14(19-2)10-20-12-6-4-3-5-7-12/h3-9,14,19H,10H2,1-2H3
InChIKeyQTQZWBFOWIDEPL-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 82802933
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 106881610
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881691
1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 65143565
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
1-(2,6-difluoro-3-methylphenyl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028942
1,1-bis(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 105027228

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine (CID 82822057) is 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine is CNC(CSc1ccccc1)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
The InChIKey is QTQZWBFOWIDEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-11-8-9-13(17)15(16(11)18)14(19-2)10-20-12-6-4-3-5-7-12/h3-9,14,19H,10H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine?
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine has a molecular weight of 293.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine is sourced from PubChem (CID 82822057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).