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

C11H15NO2 — CID 84758573

IUPAC3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
SMILESCCN(CCO)c1cccc(C=O)c1
InChIInChI=1S/C11H15NO2/c1-2-12(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8-9,13H,2,6-7H2,1H3
InChIKeyJGGBHIBGCCROCV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds5

About 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde

3-[ethyl(2-hydroxyethyl)amino]benzaldehyde (PubChem CID 84758573) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
PubChem CID84758573
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]benzaldehyde
SMILESCCN(CCO)c1cccc(C=O)c1
InChIInChI=1S/C11H15NO2/c1-2-12(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8-9,13H,2,6-7H2,1H3
InChIKeyJGGBHIBGCCROCV-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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Related Compounds

4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4-(1-Pyrrolidinyl)benzaldehyde
CID 104037
4-(Azepan-1-yl)benzaldehyde
CID 2507867
4-(Piperidin-1-yl)benzaldehyde
CID 291354
Propanenitrile, 3-[(4-formylphenyl)methylamino]-
CID 66744
4-(Dipropylamino)benzaldehyde
CID 69171
4-Morpholinobenzaldehyde
CID 291349
4-[Bis[2-(acetyloxy)ethyl]amino]benzaldehyde
CID 328729
Benzaldehyde, (dimethylamino)-
CID 34289
4-[Ethyl(phenylmethyl)amino]benzaldehyde
CID 282269
Propanenitrile, 3,3'-[(4-formylphenyl)imino]bis-
CID 87070

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde (CID 84758573) is 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde is CCN(CCO)c1cccc(C=O)c1.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
The InChIKey is JGGBHIBGCCROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-12(6-7-13)11-5-3-4-10(8-11)9-14/h3-5,8-9,13H,2,6-7H2,1H3.
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde?
3-[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 3-[ethyl(2-hydroxyethyl)amino]benzaldehyde is sourced from PubChem (CID 84758573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).