2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine

C10H13BrN2O3 — CID 18980113

IUPAC2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H13BrN2O3/c1-12(2)5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7H,5-6H2,1-2H3
InChIKeyZQWCFDXBPRBYRO-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.30
Rot. Bonds5

About 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine

2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine (PubChem CID 18980113) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
PubChem CID18980113
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cc([N+](=O)[O-])ccc1Br
InChIInChI=1S/C10H13BrN2O3/c1-12(2)5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7H,5-6H2,1-2H3
InChIKeyZQWCFDXBPRBYRO-UHFFFAOYSA-N
XLogP2.30
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
CID 166477963
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
1-bromo-4-nitro-2-(2-phenoxyethoxy)benzene
CID 86684782
1-bromo-2-[2-(3-methoxypropoxy)ethoxy]-4-nitrobenzene
CID 103185215
4-(2-bromo-5-nitrophenoxy)butane-1-sulfonamide
CID 103013076
1-(2-bromo-5-nitrophenoxy)-2-methylpropan-2-ol
CID 102977775
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
(2-bromo-5-nitrophenoxy)methyl-trifluoroboranuide
CID 103013042
1-bromo-2-[(4-ethylphenyl)methoxy]-4-nitrobenzene
CID 103013501
1-(2-bromo-5-nitrophenoxy)butan-2-ol
CID 102977771
1-bromo-2-(2-methylidenebutoxy)-4-nitrobenzene
CID 102975219
4-(2-bromo-5-nitrophenoxy)-2-(methylamino)butanoic acid
CID 103012584

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine (CID 18980113) is 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine is CN(C)CCOc1cc([N+](=O)[O-])ccc1Br.
What is the InChIKey of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine?
The InChIKey is ZQWCFDXBPRBYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-12(2)5-6-16-10-7-8(13(14)15)3-4-9(10)11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine?
2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine has a molecular weight of 289.13 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-nitrophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 18980113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).