3-bromo-5-(methoxymethoxy)aniline

C8H10BrNO2 — CID 59540873

IUPAC3-bromo-5-(methoxymethoxy)aniline
SMILESCOCOc1cc(N)cc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-11-5-12-8-3-6(9)2-7(10)4-8/h2-4H,5,10H2,1H3
InChIKeyGQZIZPKXOBGVHO-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.01
Rot. Bonds3

About 3-bromo-5-(methoxymethoxy)aniline

3-bromo-5-(methoxymethoxy)aniline (PubChem CID 59540873) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-5-(methoxymethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-(methoxymethoxy)aniline
PubChem CID59540873
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-bromo-5-(methoxymethoxy)aniline
SMILESCOCOc1cc(N)cc(Br)c1
InChIInChI=1S/C8H10BrNO2/c1-11-5-12-8-3-6(9)2-7(10)4-8/h2-4H,5,10H2,1H3
InChIKeyGQZIZPKXOBGVHO-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(methoxymethoxy)aniline?
The IUPAC name of 3-bromo-5-(methoxymethoxy)aniline (CID 59540873) is 3-bromo-5-(methoxymethoxy)aniline.
What is the SMILES notation for 3-bromo-5-(methoxymethoxy)aniline?
The canonical SMILES for 3-bromo-5-(methoxymethoxy)aniline is COCOc1cc(N)cc(Br)c1.
What is the InChIKey of 3-bromo-5-(methoxymethoxy)aniline?
The InChIKey is GQZIZPKXOBGVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-11-5-12-8-3-6(9)2-7(10)4-8/h2-4H,5,10H2,1H3.
What are the key properties of 3-bromo-5-(methoxymethoxy)aniline?
3-bromo-5-(methoxymethoxy)aniline has a molecular weight of 232.08 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(methoxymethoxy)aniline is sourced from PubChem (CID 59540873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).