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

C11H16BrCl2NO — CID 171267737

IUPAC(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-2-3-10(15)11(14)8-5-4-7(13)6-9(8)12;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyXRGWDBMBRBNOBT-DHXVBOOMSA-N
MW329.07 g/mol
LogP3.69
Rot. Bonds4

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

(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride (PubChem CID 171267737) has the molecular formula C11H16BrCl2NO and a molecular weight of 329.07 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
PubChem CID171267737
Molecular FormulaC11H16BrCl2NO
Molecular Weight329.07 g/mol
Exact Mass326.98
IUPAC Name(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1Br.Cl
InChIInChI=1S/C11H15BrClNO.ClH/c1-2-3-10(15)11(14)8-5-4-7(13)6-9(8)12;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyXRGWDBMBRBNOBT-DHXVBOOMSA-N
XLogP3.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.07
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)hexan-2-ol
CID 171262039
(1S,2R)-1-amino-1-(2-bromo-5-chlorophenyl)hexan-2-ol
CID 171267713
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
ethyl (3R)-3-amino-3-(2-bromo-4-chlorophenyl)-2-fluoropropanoate;hydrochloride
CID 171240944
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)hexan-2-ol
CID 171261706
1-(2-bromo-4-chlorophenyl)octan-1-amine
CID 107992453
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171265212
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride (CID 171267737) is (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride is CCC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1Br.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride?
The InChIKey is XRGWDBMBRBNOBT-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15BrClNO.ClH/c1-2-3-10(15)11(14)8-5-4-7(13)6-9(8)12;/h4-6,10-11,15H,2-3,14H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride has a molecular weight of 329.07 g/mol, XLogP of 3.69, 4 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-4-chlorophenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171267737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).