1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

C13H19F2NS — CID 65135064

IUPAC1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NS/c1-9(2)7-17-8-12(16)5-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,5,7-8,16H2,1-2H3
InChIKeyMCVRDVGWWGJAAL-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.22
Rot. Bonds6

About 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135064) has the molecular formula C13H19F2NS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135064
Molecular FormulaC13H19F2NS
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NS/c1-9(2)7-17-8-12(16)5-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,5,7-8,16H2,1-2H3
InChIKeyMCVRDVGWWGJAAL-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135054
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-amine
CID 65128193
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226723
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-cyclohexylsulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 65139451
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135064) is 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is CC(C)CSCC(N)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is MCVRDVGWWGJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-9(2)7-17-8-12(16)5-10-3-4-11(14)6-13(10)15/h3-4,6,9,12H,5,7-8,16H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 259.37 g/mol, XLogP of 3.22, 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)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).