(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol

C9H11BrClNO — CID 130613122

IUPAC(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNO/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyAXQDITORZSEILL-CDUCUWFYSA-N
MW264.55 g/mol
LogP2.48
Rot. Bonds2

About (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol

(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol (PubChem CID 130613122) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
PubChem CID130613122
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccc(Cl)cc1Br
InChIInChI=1S/C9H11BrClNO/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyAXQDITORZSEILL-CDUCUWFYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1R)-1-amino-1-(4-amino-2-bromophenyl)propan-2-ol
CID 130665651
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1S,2R)-1-amino-1-(2-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
CID 171267737
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol (CID 130613122) is (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol is C[C@H](O)[C@H](N)c1ccc(Cl)cc1Br.
What is the InChIKey of (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol?
The InChIKey is AXQDITORZSEILL-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-5(13)9(12)7-3-2-6(11)4-8(7)10/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol?
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol has a molecular weight of 264.55 g/mol, XLogP of 2.48, 2 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-(2-bromo-4-chlorophenyl)propan-2-ol is sourced from PubChem (CID 130613122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).