2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol

C9H12FNOS — CID 117290140

IUPAC2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
SMILESCSc1c(F)cccc1C(O)CN
InChIInChI=1S/C9H12FNOS/c1-13-9-6(8(12)5-11)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3
InChIKeyLGWCXJJPCOYBPK-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol

2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol (PubChem CID 117290140) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
PubChem CID117290140
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
SMILESCSc1c(F)cccc1C(O)CN
InChIInChI=1S/C9H12FNOS/c1-13-9-6(8(12)5-11)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3
InChIKeyLGWCXJJPCOYBPK-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol 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-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
2-(aminomethyl)-1-(2-fluorophenyl)butan-1-ol
CID 65188119
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
2-(5-fluoronaphthalen-1-yl)propan-1-amine
CID 105455459
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
(1R)-2-amino-1-(2,3-dibromophenyl)ethanol
CID 54407818
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol (CID 117290140) is 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol is CSc1c(F)cccc1C(O)CN.
What is the InChIKey of 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol?
The InChIKey is LGWCXJJPCOYBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-13-9-6(8(12)5-11)3-2-4-7(9)10/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol?
2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117290140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).