1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine

C12H17F2NS — CID 105117577

IUPAC1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NS/c1-15-11(5-6-16-2)7-9-3-4-10(13)8-12(9)14/h3-4,8,11,15H,5-7H2,1-2H3
InChIKeyJUQPNGSLHDFYQB-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.85
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine

1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine (PubChem CID 105117577) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
PubChem CID105117577
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
SMILESCNC(CCSC)Cc1ccc(F)cc1F
InChIInChI=1S/C12H17F2NS/c1-15-11(5-6-16-2)7-9-3-4-10(13)8-12(9)14/h3-4,8,11,15H,5-7H2,1-2H3
InChIKeyJUQPNGSLHDFYQB-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
1-butan-2-ylsulfanyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 65135965
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 114855536
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
1-(3-chloro-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 103043196
1-(3-bromo-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105111701
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine (CID 105117577) is 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine is CNC(CCSC)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine?
The InChIKey is JUQPNGSLHDFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-15-11(5-6-16-2)7-9-3-4-10(13)8-12(9)14/h3-4,8,11,15H,5-7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine?
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine has a molecular weight of 245.34 g/mol, XLogP of 2.85, 6 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-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105117577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).