(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride

C11H16BrCl2NO — CID 171267803

IUPAC(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)7-3-4-9(13)8(12)5-7;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m0./s1
InChIKeyLKIDDOZDLQJCEF-VZXYPILPSA-N
MW329.07 g/mol
LogP3.54
Rot. Bonds3

About (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride (PubChem CID 171267803) has the molecular formula C11H16BrCl2NO and a molecular weight of 329.07 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
PubChem CID171267803
Molecular FormulaC11H16BrCl2NO
Molecular Weight329.07 g/mol
Exact Mass326.98
IUPAC Name(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@@H](O)[C@@H](N)c1ccc(Cl)c(Br)c1.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)7-3-4-9(13)8(12)5-7;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m0./s1
InChIKeyLKIDDOZDLQJCEF-VZXYPILPSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.07
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3-bromo-4-chlorophenyl)-5-methylhexan-2-ol
CID 171262140
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171267796
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
2-amino-1-(3-bromo-4-chlorophenyl)-2-phenylethanol
CID 83230882
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
(1R,2S)-2-amino-2-(3-bromo-4-chlorophenyl)-1-cyclohexylethanol
CID 171267801
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
CID 171270900
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
3-bromo-1-(3-bromo-4-chlorophenyl)propane-1,2-diol
CID 171861069

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride (CID 171267803) is (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride is CC(C)[C@@H](O)[C@@H](N)c1ccc(Cl)c(Br)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The InChIKey is LKIDDOZDLQJCEF-VZXYPILPSA-N. The full InChI is InChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)7-3-4-9(13)8(12)5-7;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m0./s1.
What are the key properties of (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride has a molecular weight of 329.07 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171267803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).