2-(3-bromo-5-nitrophenoxy)-N-methylethanamine

C9H11BrN2O3 — CID 103588685

IUPAC2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
SMILESCNCCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H11BrN2O3/c1-11-2-3-15-9-5-7(10)4-8(6-9)12(13)14/h4-6,11H,2-3H2,1H3
InChIKeyMVKOJNQOIYHLPM-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.96
Rot. Bonds5

About 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine

2-(3-bromo-5-nitrophenoxy)-N-methylethanamine (PubChem CID 103588685) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
PubChem CID103588685
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name2-(3-bromo-5-nitrophenoxy)-N-methylethanamine
SMILESCNCCOc1cc(Br)cc([N+](=O)[O-])c1
InChIInChI=1S/C9H11BrN2O3/c1-11-2-3-15-9-5-7(10)4-8(6-9)12(13)14/h4-6,11H,2-3H2,1H3
InChIKeyMVKOJNQOIYHLPM-UHFFFAOYSA-N
XLogP1.96
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(3-bromopropoxy)-5-nitrobenzene
CID 103588530
methyl 3-(3-bromo-5-nitrophenoxy)propanoate
CID 103588445
4-(3-bromo-5-nitrophenoxy)-2-(methylamino)butanenitrile
CID 103589328
1-bromo-3-(5-chloropentoxy)-5-nitrobenzene
CID 103588512
9-(3-bromo-5-nitrophenoxy)nonane-1-thiol
CID 103589603
2-(3-bromo-5-nitrophenoxy)ethanesulfonamide
CID 103589539
4-(3-bromo-5-nitrophenoxy)-2-methyl-2-(methylamino)butanoic acid
CID 103589419
methyl 2-amino-4-(3-bromo-5-nitrophenoxy)butanoate
CID 103589399
4-(3-bromo-5-nitrophenoxy)-2,2-dimethylbutanenitrile
CID 103588643
4-(3-bromo-5-nitrophenoxy)-2-(propylamino)butanenitrile
CID 103589356
1-(3-bromo-5-nitrophenoxy)-2-methylpropan-2-amine
CID 142787277
1-(3-azidopropoxy)-3-bromo-5-nitrobenzene
CID 103589292

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine (CID 103588685) is 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine is CNCCOc1cc(Br)cc([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine?
The InChIKey is MVKOJNQOIYHLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c1-11-2-3-15-9-5-7(10)4-8(6-9)12(13)14/h4-6,11H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine?
2-(3-bromo-5-nitrophenoxy)-N-methylethanamine has a molecular weight of 275.10 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-nitrophenoxy)-N-methylethanamine is sourced from PubChem (CID 103588685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).