2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde

C9H10BrNO2 — CID 177054962

IUPAC2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
SMILESCNc1cc(Br)ccc1OCC=O
InChIInChI=1S/C9H10BrNO2/c1-11-8-6-7(10)2-3-9(8)13-5-4-12/h2-4,6,11H,5H2,1H3
InChIKeyFEBGBMQUXGCBIM-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.07
Rot. Bonds4

About 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde

2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde (PubChem CID 177054962) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
PubChem CID177054962
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
SMILESCNc1cc(Br)ccc1OCC=O
InChIInChI=1S/C9H10BrNO2/c1-11-8-6-7(10)2-3-9(8)13-5-4-12/h2-4,6,11H,5H2,1H3
InChIKeyFEBGBMQUXGCBIM-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde?
The IUPAC name of 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde (CID 177054962) is 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde?
The canonical SMILES for 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde is CNc1cc(Br)ccc1OCC=O.
What is the InChIKey of 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde?
The InChIKey is FEBGBMQUXGCBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-11-8-6-7(10)2-3-9(8)13-5-4-12/h2-4,6,11H,5H2,1H3.
What are the key properties of 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde?
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde has a molecular weight of 244.09 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde is sourced from PubChem (CID 177054962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).