2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

C11H16BrNOS — CID 117468734

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

About 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol

2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (PubChem CID 117468734) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
PubChem CID117468734
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
SMILESCC(C)Sc1ccc(C(O)CN)cc1Br
InChIInChI=1S/C11H16BrNOS/c1-7(2)15-11-4-3-8(5-9(11)12)10(14)6-13/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeyRHKDDARMILKZSJ-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

2-amino-1-(3-bromo-4-methylsulfanylphenyl)ethanol
CID 84710742
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanone
CID 117465435
2-(3-bromo-4-propan-2-ylsulfanylphenyl)-2-fluoro-N-methylethanamine
CID 105424604
3-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]sulfanylbutan-2-ol
CID 107772323
(1R)-2-amino-1-(3-chloro-4-methylsulfanylphenyl)ethanol
CID 54071116
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
3-[4-(1-aminoethyl)-2-bromophenyl]sulfanylbutan-1-ol
CID 66137471

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol (CID 117468734) is 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol is CC(C)Sc1ccc(C(O)CN)cc1Br.
What is the InChIKey of 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
The InChIKey is RHKDDARMILKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-7(2)15-11-4-3-8(5-9(11)12)10(14)6-13/h3-5,7,10,14H,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol?
2-amino-1-(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-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 117468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).