1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine

C16H17F2NS — CID 66066186

IUPAC1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2NS/c1-11-3-6-13(7-4-11)20-10-16(19-2)14-8-5-12(17)9-15(14)18/h3-9,16,19H,10H2,1-2H3
InChIKeyVBHTYNWTFQOTGL-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine

1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 66066186) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
PubChem CID66066186
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCNC(CSc1ccc(C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2NS/c1-11-3-6-13(7-4-11)20-10-16(19-2)14-8-5-12(17)9-15(14)18/h3-9,16,19H,10H2,1-2H3
InChIKeyVBHTYNWTFQOTGL-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-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
CID 66143100
2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 64620706
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
CID 105395115
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 103395624

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine (CID 66066186) is 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine is CNC(CSc1ccc(C)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is VBHTYNWTFQOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-11-3-6-13(7-4-11)20-10-16(19-2)14-8-5-12(17)9-15(14)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine?
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine 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-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 66066186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).