4-[ethyl(2-hydroxyethyl)amino]benzaldehyde

C11H15NO2 — CID 639857

IUPAC4-[ethyl(2-hydroxyethyl)amino]benzaldehyde
SMILESCCN(CCO)c1ccc(C=O)cc1
InChIInChI=1S/C11H15NO2/c1-2-12(7-8-13)11-5-3-10(9-14)4-6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYOMFQNMFVOQTCI-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds5

About 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde

4-[ethyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 639857) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[ethyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID639857
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[ethyl(2-hydroxyethyl)amino]benzaldehyde
SMILESCCN(CCO)c1ccc(C=O)cc1
InChIInChI=1S/C11H15NO2/c1-2-12(7-8-13)11-5-3-10(9-14)4-6-11/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYOMFQNMFVOQTCI-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.32
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 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde (CID 639857) is 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde is CCN(CCO)c1ccc(C=O)cc1.
What is the InChIKey of 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is YOMFQNMFVOQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12(7-8-13)11-5-3-10(9-14)4-6-11/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
4-[ethyl(2-hydroxyethyl)amino]benzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 639857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).