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

C11H15NO3 — CID 12824965

IUPAC4-[bis(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2
InChIKeyYSDDPNWGLSGZRC-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds6

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

4-[bis(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 12824965) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]benzaldehyde
PubChem CID12824965
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-[bis(2-hydroxyethyl)amino]benzaldehyde
SMILESO=Cc1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2
InChIKeyYSDDPNWGLSGZRC-UHFFFAOYSA-N
XLogP0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[bis(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]benzaldehyde (CID 12824965) is 4-[bis(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]benzaldehyde is O=Cc1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is YSDDPNWGLSGZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-7-5-12(6-8-14)11-3-1-10(9-15)2-4-11/h1-4,9,13-14H,5-8H2.
What are the key properties of 4-[bis(2-hydroxyethyl)amino]benzaldehyde?
4-[bis(2-hydroxyethyl)amino]benzaldehyde has a molecular weight of 209.25 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 12824965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).