(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol

C11H15Br2NO — CID 171270900

IUPAC(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
SMILESCC(C)[C@@H](O)[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H15Br2NO/c1-6(2)11(15)10(14)7-3-8(12)5-9(13)4-7/h3-6,10-11,15H,14H2,1-2H3/t10-,11+/m0/s1
InChIKeyUDLDZCFHACJJBH-WDEREUQCSA-N
MW337.06 g/mol
LogP3.23
Rot. Bonds3

About (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol

(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol (PubChem CID 171270900) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
PubChem CID171270900
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol
SMILESCC(C)[C@@H](O)[C@@H](N)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H15Br2NO/c1-6(2)11(15)10(14)7-3-8(12)5-9(13)4-7/h3-6,10-11,15H,14H2,1-2H3/t10-,11+/m0/s1
InChIKeyUDLDZCFHACJJBH-WDEREUQCSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171268800
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267408
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
1-(3,5-dibromophenyl)ethanamine
CID 23147757
(1R,2S)-1-amino-3-methyl-1-(4-propan-2-ylphenyl)butan-2-ol
CID 171160973
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267803
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1S)-1-(3,5-dibromophenyl)ethanamine;hydrochloride
CID 171233549
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-ditert-butylphenol;hydrochloride
CID 171162052
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol (CID 171270900) is (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol is CC(C)[C@@H](O)[C@@H](N)c1cc(Br)cc(Br)c1.
What is the InChIKey of (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol?
The InChIKey is UDLDZCFHACJJBH-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-6(2)11(15)10(14)7-3-8(12)5-9(13)4-7/h3-6,10-11,15H,14H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol?
(1S,2R)-1-amino-1-(3,5-dibromophenyl)-3-methylbutan-2-ol has a molecular weight of 337.06 g/mol, XLogP of 3.23, 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-(3,5-dibromophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 171270900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).