2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol

C9H12BrNOS — CID 84710747

IUPAC2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(Br)cc(C(N)CO)c1
InChIInChI=1S/C9H12BrNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyGMBMEKGEZFRIAN-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol

2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol (PubChem CID 84710747) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol
PubChem CID84710747
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(Br)cc(C(N)CO)c1
InChIInChI=1S/C9H12BrNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyGMBMEKGEZFRIAN-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(3-bromo-5-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 84714418
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
(2S)-2-amino-2-(5-bromo-3-pyridinyl)ethanol
CID 124518455
1-(3,5-dibromophenyl)propan-1-amine
CID 91121714
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(2S)-2-amino-2-[3-bromo-5-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208293
(4R)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171213954
(4S)-4-amino-4-(3,5-dibromophenyl)butan-1-ol
CID 171233582
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol (CID 84710747) is 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol is CSc1cc(Br)cc(C(N)CO)c1.
What is the InChIKey of 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol?
The InChIKey is GMBMEKGEZFRIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol?
2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol has a molecular weight of 262.17 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromo-5-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 84710747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).