(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol

C9H11BrClNO — CID 130649262

IUPAC(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyDGFRXFCOXCMUME-MLUIRONXSA-N
MW264.55 g/mol
LogP2.48
Rot. Bonds2

About (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol

(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol (PubChem CID 130649262) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
PubChem CID130649262
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(Br)ccc1Cl
InChIInChI=1S/C9H11BrClNO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1
InChIKeyDGFRXFCOXCMUME-MLUIRONXSA-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,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171267829
(1S,2R)-1-amino-1-(2,5-dibromophenyl)propan-2-ol;hydrochloride
CID 171271433
1-amino-1-(2,4-dibromophenyl)propan-2-ol
CID 130041715
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
(1S,2S)-1-amino-1-[5-bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 130632072
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
1-(5-bromo-2-chlorophenyl)propan-1-amine
CID 83988605
1-(5-bromo-2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 115796560
(1R,2S)-1-amino-1-(4-bromo-2-methoxyphenyl)propan-2-ol
CID 130727947

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol (CID 130649262) is (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cc(Br)ccc1Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol?
The InChIKey is DGFRXFCOXCMUME-MLUIRONXSA-N. The full InChI is InChI=1S/C9H11BrClNO/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,12H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol?
(1S,2R)-1-amino-1-(5-bromo-2-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 (1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 130649262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).