(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride

C9H12BrClFNO — CID 171267992

IUPAC(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cccc(F)c1Br.Cl
InChIInChI=1S/C9H11BrFNO.ClH/c1-5(13)9(12)6-3-2-4-7(11)8(6)10;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyWVCAIJKFNWSANR-AXHNGXNJSA-N
MW284.56 g/mol
LogP2.39
Rot. Bonds2

About (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride (PubChem CID 171267992) has the molecular formula C9H12BrClFNO and a molecular weight of 284.56 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
PubChem CID171267992
Molecular FormulaC9H12BrClFNO
Molecular Weight284.56 g/mol
Exact Mass282.98
IUPAC Name(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cccc(F)c1Br.Cl
InChIInChI=1S/C9H11BrFNO.ClH/c1-5(13)9(12)6-3-2-4-7(11)8(6)10;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyWVCAIJKFNWSANR-AXHNGXNJSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2-bromo-3-fluorophenyl)-2,2-difluoroethanamine;hydrochloride
CID 171247886
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
1-amino-1-(2-amino-3-fluorophenyl)propan-2-ol
CID 55293130
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
(1R,2S)-1-amino-1-(2-ethyl-3-fluorophenyl)propan-2-ol
CID 55270630
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130657386
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclohexylethanol
CID 171268000
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(1R)-1-(2-bromo-3-fluorophenyl)propane-1,3-diamine
CID 130889083

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride (CID 171267992) is (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1cccc(F)c1Br.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is WVCAIJKFNWSANR-AXHNGXNJSA-N. The full InChI is InChI=1S/C9H11BrFNO.ClH/c1-5(13)9(12)6-3-2-4-7(11)8(6)10;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2-bromo-3-fluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 284.56 g/mol, XLogP of 2.39, 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-bromo-3-fluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171267992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).