2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol

C10H14FNOS — CID 126984289

IUPAC2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
SMILESCc1cc(SC(C)CO)c(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-6-3-10(14-7(2)5-13)8(11)4-9(6)12/h3-4,7,13H,5,12H2,1-2H3
InChIKeyJAPFJZIIARPGDF-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol

2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol (PubChem CID 126984289) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
PubChem CID126984289
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol
SMILESCc1cc(SC(C)CO)c(F)cc1N
InChIInChI=1S/C10H14FNOS/c1-6-3-10(14-7(2)5-13)8(11)4-9(6)12/h3-4,7,13H,5,12H2,1-2H3
InChIKeyJAPFJZIIARPGDF-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol?
The IUPAC name of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol (CID 126984289) is 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol is Cc1cc(SC(C)CO)c(F)cc1N.
What is the InChIKey of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol?
The InChIKey is JAPFJZIIARPGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-6-3-10(14-7(2)5-13)8(11)4-9(6)12/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol?
2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol has a molecular weight of 215.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluoro-5-methylphenyl)sulfanylpropan-1-ol is sourced from PubChem (CID 126984289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).