1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine

C16H17F2NS — CID 115995811

IUPAC1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NS/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3
InChIKeyALUDCGMINVPFSJ-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.79
Rot. Bonds5

About 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine

1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine (PubChem CID 115995811) has the molecular formula C16H17F2NS and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
PubChem CID115995811
Molecular FormulaC16H17F2NS
Molecular Weight293.38 g/mol
Exact Mass293.10
IUPAC Name1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1Sc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NS/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3
InChIKeyALUDCGMINVPFSJ-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
1-[2-(2,5-dimethylphenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 115995797
1-[2-(2-chlorophenyl)sulfanylphenyl]-N-methylpropan-1-amine
CID 112678556
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
N-methyl-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 112678616
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-one
CID 112677665
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
1-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-N-methylpropan-1-amine
CID 107780626
2-(2-bromophenyl)sulfanyl-1-(2,4-difluorophenyl)-N-methylethanamine
CID 66143100
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine (CID 115995811) is 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1Sc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
The InChIKey is ALUDCGMINVPFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NS/c1-3-14(19-2)12-6-4-5-7-15(12)20-16-9-8-11(17)10-13(16)18/h4-10,14,19H,3H2,1-2H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine?
1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)sulfanylphenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 115995811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).