(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride

C9H12Br2ClNO — CID 171271433

IUPAC(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)ccc1Br.Cl
InChIInChI=1S/C9H11Br2NO.ClH/c1-5(13)9(12)7-4-6(10)2-3-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyLLVOCHOVUXMVRW-AXHNGXNJSA-N
MW345.46 g/mol
LogP3.01
Rot. Bonds2

About (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride (PubChem CID 171271433) has the molecular formula C9H12Br2ClNO and a molecular weight of 345.46 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
PubChem CID171271433
Molecular FormulaC9H12Br2ClNO
Molecular Weight345.46 g/mol
Exact Mass342.90
IUPAC Name(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)ccc1Br.Cl
InChIInChI=1S/C9H11Br2NO.ClH/c1-5(13)9(12)7-4-6(10)2-3-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyLLVOCHOVUXMVRW-AXHNGXNJSA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947
(2S,3S)-3-amino-3-(2,5-dibromophenyl)-1,1,1-trifluoropropan-2-ol
CID 131347022
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride (CID 171271433) is (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1cc(Br)ccc1Br.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride?
The InChIKey is LLVOCHOVUXMVRW-AXHNGXNJSA-N. The full InChI is InChI=1S/C9H11Br2NO.ClH/c1-5(13)9(12)7-4-6(10)2-3-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride has a molecular weight of 345.46 g/mol, XLogP of 3.01, 2 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-(2,5-dibromophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171271433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).