2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol

C9H12BrNOS — CID 84710742

IUPAC2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)CN)cc1Br
InChIInChI=1S/C9H12BrNOS/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3
InChIKeyLWYDXRZRKVREBH-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.16
Rot. Bonds3

About 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol

2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol (PubChem CID 84710742) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
PubChem CID84710742
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
SMILESCSc1ccc(C(O)CN)cc1Br
InChIInChI=1S/C9H12BrNOS/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3
InChIKeyLWYDXRZRKVREBH-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

2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468734
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
2-(3-bromo-4-methylsulfanylphenyl)-2-fluoroethanamine
CID 105424599
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
2-(3-bromo-4-methylsulfanylphenyl)-2-methylpropan-1-amine
CID 105424605
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol (CID 84710742) is 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol is CSc1ccc(C(O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol?
The InChIKey is LWYDXRZRKVREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-13-9-3-2-6(4-7(9)10)8(12)5-11/h2-4,8,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol?
2-amino-1-(3-bromo-4-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-1-(3-bromo-4-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 84710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).