2-[2-(dimethylamino)ethoxy]benzaldehyde

C11H15NO2 — CID 6504241

IUPAC2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccccc1C=O
InChIInChI=1S/C11H15NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,9H,7-8H2,1-2H3
InChIKeyTWMYSXRSVLFCGX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-(dimethylamino)ethoxy]benzaldehyde

2-[2-(dimethylamino)ethoxy]benzaldehyde (PubChem CID 6504241) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]benzaldehyde
PubChem CID6504241
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[2-(dimethylamino)ethoxy]benzaldehyde
SMILESCN(C)CCOc1ccccc1C=O
InChIInChI=1S/C11H15NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,9H,7-8H2,1-2H3
InChIKeyTWMYSXRSVLFCGX-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-[2-(dimethylamino)ethoxy]benzaldehyde?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]benzaldehyde (CID 6504241) is 2-[2-(dimethylamino)ethoxy]benzaldehyde.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]benzaldehyde?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]benzaldehyde is CN(C)CCOc1ccccc1C=O.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]benzaldehyde?
The InChIKey is TWMYSXRSVLFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]benzaldehyde?
2-[2-(dimethylamino)ethoxy]benzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]benzaldehyde is sourced from PubChem (CID 6504241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).