2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol

C10H14FNO2S — CID 117334317

IUPAC2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(F)c1SC
InChIInChI=1S/C10H14FNO2S/c1-14-8-4-3-6(7(12)5-13)9(11)10(8)15-2/h3-4,7,13H,5,12H2,1-2H3
InChIKeyLIUVMQAYKGPOEG-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol

2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol (PubChem CID 117334317) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
PubChem CID117334317
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
SMILESCOc1ccc(C(N)CO)c(F)c1SC
InChIInChI=1S/C10H14FNO2S/c1-14-8-4-3-6(7(12)5-13)9(11)10(8)15-2/h3-4,7,13H,5,12H2,1-2H3
InChIKeyLIUVMQAYKGPOEG-UHFFFAOYSA-N
XLogP1.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propan-1-amine
CID 117331001
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)acetic acid
CID 117364578
3-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)propanoic acid
CID 117401591
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
3-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)butanal
CID 117357983
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol (CID 117334317) is 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol is COc1ccc(C(N)CO)c(F)c1SC.
What is the InChIKey of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol?
The InChIKey is LIUVMQAYKGPOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-14-8-4-3-6(7(12)5-13)9(11)10(8)15-2/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol?
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol has a molecular weight of 231.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 117334317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).