1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride

C11H16ClF2NS — CID 154578352

IUPAC1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride
SMILESCNC(CSC)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H15F2NS.ClH/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13;/h3-4,6,10,14H,5,7H2,1-2H3;1H
InChIKeyPUDPWHFKGQXONJ-UHFFFAOYSA-N
MW267.77 g/mol
LogP2.88
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride

1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride (PubChem CID 154578352) has the molecular formula C11H16ClF2NS and a molecular weight of 267.77 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride
PubChem CID154578352
Molecular FormulaC11H16ClF2NS
Molecular Weight267.77 g/mol
Exact Mass267.07
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride
SMILESCNC(CSC)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C11H15F2NS.ClH/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13;/h3-4,6,10,14H,5,7H2,1-2H3;1H
InChIKeyPUDPWHFKGQXONJ-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride (CID 154578352) is 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride is CNC(CSC)Cc1ccc(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride?
The InChIKey is PUDPWHFKGQXONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS.ClH/c1-14-10(7-15-2)5-8-3-4-9(12)6-11(8)13;/h3-4,6,10,14H,5,7H2,1-2H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride?
1-(2,4-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine;hydrochloride has a molecular weight of 267.77 g/mol, XLogP of 2.88, 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-3-methylsulfanylpropan-2-amine;hydrochloride is sourced from PubChem (CID 154578352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).