(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol

C8H10BrClN2O — CID 54051332

IUPAC(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
SMILESNC[C@H](O)c1cc(Cl)c(N)c(Br)c1
InChIInChI=1S/C8H10BrClN2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2/t7-/m0/s1
InChIKeyLTBNPJVAOXHZIG-ZETCQYMHSA-N
MW265.54 g/mol
LogP1.68
Rot. Bonds2

About (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol

(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol (PubChem CID 54051332) has the molecular formula C8H10BrClN2O and a molecular weight of 265.54 g/mol. Its IUPAC name is (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
PubChem CID54051332
Molecular FormulaC8H10BrClN2O
Molecular Weight265.54 g/mol
Exact Mass263.97
IUPAC Name(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol
SMILESNC[C@H](O)c1cc(Cl)c(N)c(Br)c1
InChIInChI=1S/C8H10BrClN2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2/t7-/m0/s1
InChIKeyLTBNPJVAOXHZIG-ZETCQYMHSA-N
XLogP1.68
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.54
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol (CID 54051332) is (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol is NC[C@H](O)c1cc(Cl)c(N)c(Br)c1.
What is the InChIKey of (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol?
The InChIKey is LTBNPJVAOXHZIG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10BrClN2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2/t7-/m0/s1.
What are the key properties of (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol?
(1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol has a molecular weight of 265.54 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(4-amino-3-bromo-5-chlorophenyl)ethanol is sourced from PubChem (CID 54051332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).