3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol

C10H14FNOS — CID 70050109

IUPAC3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
SMILESNC(CCO)SCc1ccccc1F
InChIInChI=1S/C10H14FNOS/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13/h1-4,10,13H,5-7,12H2
InChIKeyCWGZSGYCNKTRSH-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.73
Rot. Bonds5

About 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol

3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol (PubChem CID 70050109) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
PubChem CID70050109
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
SMILESNC(CCO)SCc1ccccc1F
InChIInChI=1S/C10H14FNOS/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13/h1-4,10,13H,5-7,12H2
InChIKeyCWGZSGYCNKTRSH-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-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

2-{[(2-Fluorophenyl)methyl]sulfanyl}ethan-1-amine
CID 4962213
2-(3-Fluoro-benzylsulfanyl)-ethylamine
CID 24695982
2-(((4-Fluorophenyl)methyl)thio)ethanamine
CID 2774451
2-Amino-3-benzylsulfanylpropan-1-ol
CID 427801
(1S)-1-(Benzylthiomethyl)-2-hydroxyethylamine
CID 2817366
2-[(4-Fluorobenzyl)thio]ethanol
CID 335545
2-[(3-Fluorobenzyl)thio]ethanol
CID 12779321
2-((2-Fluorobenzyl)thio)ethanol
CID 20206490
1-Amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol
CID 21747808
2-Amino-3-[(4-fluorophenyl)methylsulfanyl]propan-1-ol
CID 21747923
3-[(4-Fluorobenzyl)thio]-1-propanamine
CID 37134629
2(R)-Amino-3-(4-fluorobenzylsulfanyl)propan-1-ol
CID 54114465

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol (CID 70050109) is 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol is NC(CCO)SCc1ccccc1F.
What is the InChIKey of 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol?
The InChIKey is CWGZSGYCNKTRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13/h1-4,10,13H,5-7,12H2.
What are the key properties of 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol?
3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol has a molecular weight of 215.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 70050109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).