(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol

C8H11BrN2O — CID 131128793

IUPAC(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
SMILESNc1ccc([C@@H](N)CO)cc1Br
InChIInChI=1S/C8H11BrN2O/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,10-11H2/t8-/m0/s1
InChIKeyUPCJZUKWLCUSKG-QMMMGPOBSA-N
MW231.09 g/mol
LogP1.02
Rot. Bonds2

About (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol

(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol (PubChem CID 131128793) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
PubChem CID131128793
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
SMILESNc1ccc([C@@H](N)CO)cc1Br
InChIInChI=1S/C8H11BrN2O/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,10-11H2/t8-/m0/s1
InChIKeyUPCJZUKWLCUSKG-QMMMGPOBSA-N
XLogP1.02
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(1S)-1-(4-amino-3-bromophenyl)ethane-1,2-diamine
CID 130674111
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
2-amino-2-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 117468737
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
(2S)-2-amino-2-(3-aminophenyl)ethanol
CID 66513825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol (CID 131128793) is (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol is Nc1ccc([C@@H](N)CO)cc1Br.
What is the InChIKey of (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol?
The InChIKey is UPCJZUKWLCUSKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-6-3-5(8(11)4-12)1-2-7(6)10/h1-3,8,12H,4,10-11H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol?
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol has a molecular weight of 231.09 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol is sourced from PubChem (CID 131128793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).