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

C10H14ClF2NS — CID 138039873

IUPAC1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride
SMILESCSCC(N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H13F2NS.ClH/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12;/h2-3,5,9H,4,6,13H2,1H3;1H
InChIKeyDUZLJCOUJRZVQD-UHFFFAOYSA-N
MW253.75 g/mol
LogP2.62
Rot. Bonds4

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

1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride (PubChem CID 138039873) has the molecular formula C10H14ClF2NS and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride
PubChem CID138039873
Molecular FormulaC10H14ClF2NS
Molecular Weight253.75 g/mol
Exact Mass253.05
IUPAC Name1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride
SMILESCSCC(N)Cc1ccc(F)cc1F.Cl
InChIInChI=1S/C10H13F2NS.ClH/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12;/h2-3,5,9H,4,6,13H2,1H3;1H
InChIKeyDUZLJCOUJRZVQD-UHFFFAOYSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 52.62
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)-3-methylsulfanylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride (CID 138039873) is 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride is CSCC(N)Cc1ccc(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride?
The InChIKey is DUZLJCOUJRZVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS.ClH/c1-14-6-9(13)4-7-2-3-8(11)5-10(7)12;/h2-3,5,9H,4,6,13H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride?
1-(2,4-difluorophenyl)-3-methylsulfanylpropan-2-amine;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 2.62, 4 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-methylsulfanylpropan-2-amine;hydrochloride is sourced from PubChem (CID 138039873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).