4-bromo-2-(methoxymethoxy)aniline

C8H10BrNO2 — CID 167459517

IUPAC4-bromo-2-(methoxymethoxy)aniline
SMILESCOCOc1cc(Br)ccc1N
InChIInChI=1S/C8H10BrNO2/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,5,10H2,1H3
InChIKeyRESOSGMYRKKHAA-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.01
Rot. Bonds3

About 4-bromo-2-(methoxymethoxy)aniline

4-bromo-2-(methoxymethoxy)aniline (PubChem CID 167459517) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 4-bromo-2-(methoxymethoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(methoxymethoxy)aniline
PubChem CID167459517
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name4-bromo-2-(methoxymethoxy)aniline
SMILESCOCOc1cc(Br)ccc1N
InChIInChI=1S/C8H10BrNO2/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,5,10H2,1H3
InChIKeyRESOSGMYRKKHAA-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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Related Compounds

4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587064
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
4-bromo-2-(1-methoxypropan-2-yloxy)aniline
CID 65342707
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
4-bromo-1-(methoxymethoxy)-2-propylbenzene
CID 68947055
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-(methoxymethoxy)-2,5-dimethylaniline
CID 65365298
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197
4-(methoxymethoxy)-2-methylaniline
CID 14883323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(methoxymethoxy)aniline?
The IUPAC name of 4-bromo-2-(methoxymethoxy)aniline (CID 167459517) is 4-bromo-2-(methoxymethoxy)aniline.
What is the SMILES notation for 4-bromo-2-(methoxymethoxy)aniline?
The canonical SMILES for 4-bromo-2-(methoxymethoxy)aniline is COCOc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(methoxymethoxy)aniline?
The InChIKey is RESOSGMYRKKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-11-5-12-8-4-6(9)2-3-7(8)10/h2-4H,5,10H2,1H3.
What are the key properties of 4-bromo-2-(methoxymethoxy)aniline?
4-bromo-2-(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 4-bromo-2-(methoxymethoxy)aniline is sourced from PubChem (CID 167459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).