(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol

C10H13BrN2O5 — CID 66516371

IUPAC(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
SMILESCOc1cc([C@@H](N)CO)c([N+](=O)[O-])c(Br)c1OC
InChIInChI=1S/C10H13BrN2O5/c1-17-7-3-5(6(12)4-14)9(13(15)16)8(11)10(7)18-2/h3,6,14H,4,12H2,1-2H3/t6-/m0/s1
InChIKeyLFBGCQWQAIOELB-LURJTMIESA-N
MW321.13 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol

(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol (PubChem CID 66516371) has the molecular formula C10H13BrN2O5 and a molecular weight of 321.13 g/mol. Its IUPAC name is (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
PubChem CID66516371
Molecular FormulaC10H13BrN2O5
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
SMILESCOc1cc([C@@H](N)CO)c([N+](=O)[O-])c(Br)c1OC
InChIInChI=1S/C10H13BrN2O5/c1-17-7-3-5(6(12)4-14)9(13(15)16)8(11)10(7)18-2/h3,6,14H,4,12H2,1-2H3/t6-/m0/s1
InChIKeyLFBGCQWQAIOELB-LURJTMIESA-N
XLogP1.37
TPSA107.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol
CID 66516358
6-[(1S)-1-amino-2-hydroxyethyl]-3-bromo-4-chloro-2-nitrophenol
CID 66516433
(1S)-1-(6-bromo-3,4-dimethoxy-2-nitrophenyl)ethane-1,2-diamine
CID 165352097
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
(2S)-2-amino-2-(2-bromo-4,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171198902
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355242
6-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-3-methyl-2-nitrophenol
CID 66515634
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
CID 66516242
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol (CID 66516371) is (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol is COc1cc([C@@H](N)CO)c([N+](=O)[O-])c(Br)c1OC.
What is the InChIKey of (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol?
The InChIKey is LFBGCQWQAIOELB-LURJTMIESA-N. The full InChI is InChI=1S/C10H13BrN2O5/c1-17-7-3-5(6(12)4-14)9(13(15)16)8(11)10(7)18-2/h3,6,14H,4,12H2,1-2H3/t6-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol?
(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol has a molecular weight of 321.13 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol is sourced from PubChem (CID 66516371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).