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

C10H13NO2 — CID 3614316

IUPAC4-[2-hydroxyethyl(methyl)amino]benzaldehyde
SMILESCN(CCO)c1ccc(C=O)cc1
InChIInChI=1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyJOCUIVLSLBBESN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.93
Rot. Bonds4

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

4-[2-hydroxyethyl(methyl)amino]benzaldehyde (PubChem CID 3614316) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]benzaldehyde
PubChem CID3614316
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4-[2-hydroxyethyl(methyl)amino]benzaldehyde
SMILESCN(CCO)c1ccc(C=O)cc1
InChIInChI=1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3
InChIKeyJOCUIVLSLBBESN-UHFFFAOYSA-N
XLogP0.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.93
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-[2-hydroxyethyl(methyl)amino]benzaldehyde?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]benzaldehyde (CID 3614316) is 4-[2-hydroxyethyl(methyl)amino]benzaldehyde.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]benzaldehyde?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]benzaldehyde is CN(CCO)c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]benzaldehyde?
The InChIKey is JOCUIVLSLBBESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(6-7-12)10-4-2-9(8-13)3-5-10/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]benzaldehyde?
4-[2-hydroxyethyl(methyl)amino]benzaldehyde has a molecular weight of 179.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]benzaldehyde is sourced from PubChem (CID 3614316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).