(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol

C10H13BrN2O5 — CID 66516358

IUPAC(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol
SMILESCOc1cc([N+](=O)[O-])c(Br)c([C@@H](N)CO)c1OC
InChIInChI=1S/C10H13BrN2O5/c1-17-7-3-6(13(15)16)9(11)8(5(12)4-14)10(7)18-2/h3,5,14H,4,12H2,1-2H3/t5-/m0/s1
InChIKeyUNQLOCNJUVYPKV-YFKPBYRVSA-N
MW321.13 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol

(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol (PubChem CID 66516358) has the molecular formula C10H13BrN2O5 and a molecular weight of 321.13 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol
PubChem CID66516358
Molecular FormulaC10H13BrN2O5
Molecular Weight321.13 g/mol
Exact Mass320.00
IUPAC Name(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol
SMILESCOc1cc([N+](=O)[O-])c(Br)c([C@@H](N)CO)c1OC
InChIInChI=1S/C10H13BrN2O5/c1-17-7-3-6(13(15)16)9(11)8(5(12)4-14)10(7)18-2/h3,5,14H,4,12H2,1-2H3/t5-/m0/s1
InChIKeyUNQLOCNJUVYPKV-YFKPBYRVSA-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'}

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Related Compounds

(2R)-2-amino-2-(3-bromo-4,5-dimethoxy-2-nitrophenyl)ethanol
CID 66516371
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
CID 66516242
(1S)-1-(6-bromo-3,4-dimethoxy-2-nitrophenyl)ethane-1,2-diamine
CID 165352097
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
2-[[2-amino-2-(2,3-dimethoxy-6-nitrophenyl)ethyl]-(carboxymethyl)amino]acetic acid
CID 146426328
2-amino-1-(3,4-dimethoxy-5-nitrophenyl)ethanol
CID 116987737
methyl 2-(1-amino-2-hydroxyethyl)-3-nitrobenzoate
CID 117352620
(2S)-2-amino-2-(4-bromo-3,5-dimethoxyphenyl)ethanol
CID 66515834
3-amino-3-(4,5-dimethoxy-2-nitrophenyl)propanoic acid
CID 53417364
2-amino-2-(2,4-dimethoxynaphthalen-1-yl)ethanol
CID 139983141
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1,2-dimethoxy-4-nitronaphthalene
CID 12579212

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol (CID 66516358) is (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol is COc1cc([N+](=O)[O-])c(Br)c([C@@H](N)CO)c1OC.
What is the InChIKey of (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol?
The InChIKey is UNQLOCNJUVYPKV-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H13BrN2O5/c1-17-7-3-6(13(15)16)9(11)8(5(12)4-14)10(7)18-2/h3,5,14H,4,12H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol?
(2R)-2-amino-2-(2-bromo-5,6-dimethoxy-3-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-(2-bromo-5,6-dimethoxy-3-nitrophenyl)ethanol is sourced from PubChem (CID 66516358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).