1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine

C13H19F2NS — CID 65127846

IUPAC1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
SMILESCCNC(CSCC)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NS/c1-3-16-12(9-17-4-2)7-10-5-6-11(14)8-13(10)15/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyVGNLBIZJFSJUKD-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.24
Rot. Bonds7

About 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine

1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine (PubChem CID 65127846) has the molecular formula C13H19F2NS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
PubChem CID65127846
Molecular FormulaC13H19F2NS
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine
SMILESCCNC(CSCC)Cc1ccc(F)cc1F
InChIInChI=1S/C13H19F2NS/c1-3-16-12(9-17-4-2)7-10-5-6-11(14)8-13(10)15/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyVGNLBIZJFSJUKD-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.24
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-ethyl-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine (CID 65127846) is 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine is CCNC(CSCC)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
The InChIKey is VGNLBIZJFSJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-3-16-12(9-17-4-2)7-10-5-6-11(14)8-13(10)15/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine?
1-(2,4-difluorophenyl)-N-ethyl-3-ethylsulfanylpropan-2-amine has a molecular weight of 259.37 g/mol, XLogP of 3.24, 7 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-ethyl-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 65127846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).