1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol

C10H14FNOS — CID 82023687

IUPAC1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cc(F)ccc1SCC(O)CN
InChIInChI=1S/C10H14FNOS/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3
InChIKeyLMXMZTOJKSCEIQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.55
Rot. Bonds4

About 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol

1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 82023687) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol
PubChem CID82023687
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol
SMILESCc1cc(F)ccc1SCC(O)CN
InChIInChI=1S/C10H14FNOS/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3
InChIKeyLMXMZTOJKSCEIQ-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-2-phenylthio-2-propanol
CID 113732
1-Amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
CID 21747808
2-Amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol
CID 21747923
1-Amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 22437795
(2S)-1-amino-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 28409457
2(R)-Amino-3-(4-fluorobenzylsulfanyl)propan-1-ol
CID 54114465
(2R)-2-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
CID 54127946
(2R)-1-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-2-ol
CID 54312431
(2R)-2-amino-3-[(3-fluorophenyl)methylsulfanyl]propan-1-ol
CID 54404619
(2S)-2-amino-4-[(2-fluorophenyl)methylsulfanyl]butan-1-ol
CID 57049418
1,1,1-Trifluoro-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 63900018
3-Amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
CID 70050109

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol (CID 82023687) is 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol is Cc1cc(F)ccc1SCC(O)CN.
What is the InChIKey of 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is LMXMZTOJKSCEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7-4-8(11)2-3-10(7)14-6-9(13)5-12/h2-4,9,13H,5-6,12H2,1H3.
What are the key properties of 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol?
1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluoro-2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 82023687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).