(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride

C11H16BrCl2NO — CID 171262154

IUPAC(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)8-5-7(12)3-4-9(8)13;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyJHHSQXXJOYQSIJ-DHXVBOOMSA-N
MW329.07 g/mol
LogP3.54
Rot. Bonds3

About (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride (PubChem CID 171262154) has the molecular formula C11H16BrCl2NO and a molecular weight of 329.07 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
PubChem CID171262154
Molecular FormulaC11H16BrCl2NO
Molecular Weight329.07 g/mol
Exact Mass326.98
IUPAC Name(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)8-5-7(12)3-4-9(8)13;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyJHHSQXXJOYQSIJ-DHXVBOOMSA-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

(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171267829
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267803
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
(1R)-1-(5-bromo-2-chlorophenyl)propan-1-amine;hydrochloride
CID 171203975
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
(3S)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol;hydrochloride
CID 171223578
ethyl (3S)-3-amino-3-(5-bromo-2-chlorophenyl)-2-fluoropropanoate
CID 171247721

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride (CID 171262154) is (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride is CC(C)[C@H](O)[C@H](N)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
The InChIKey is JHHSQXXJOYQSIJ-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15BrClNO.ClH/c1-6(2)11(15)10(14)8-5-7(12)3-4-9(8)13;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1.
What are the key properties of (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(5-bromo-2-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 (1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171262154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).