2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

C11H16BrNOS — CID 117468737

IUPAC2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc(C(N)CO)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyXJHRLBRHSXUIHM-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.94
Rot. Bonds4

About 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 117468737) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
PubChem CID117468737
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc(C(N)CO)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyXJHRLBRHSXUIHM-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468734
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-butan-2-ylsulfanylphenyl)ethanamine
CID 63370316
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
3-[4-(1-aminoethyl)-2-bromophenyl]sulfanylbutan-1-ol
CID 66137471
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2-fluoro-N-methylethanamine
CID 105424604

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (CID 117468737) is 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccc(C(N)CO)cc1Br.
What is the InChIKey of 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is XJHRLBRHSXUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7(2)15-11-4-3-8(5-9(11)12)10(13)6-14/h3-5,7,10,14H,6,13H2,1-2H3.
What are the key properties of 2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol has a molecular weight of 290.23 g/mol, XLogP of 2.94, 4 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-4-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 117468737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).