5-(diethylamino)-2-hydroxybenzaldehyde

C11H15NO2 — CID 12934647

IUPAC5-(diethylamino)-2-hydroxybenzaldehyde
SMILESCCN(CC)c1ccc(O)c(C=O)c1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)10-5-6-11(14)9(7-10)8-13/h5-8,14H,3-4H2,1-2H3
InChIKeyQXSMPHMHBQPOJJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds4

About 5-(diethylamino)-2-hydroxybenzaldehyde

5-(diethylamino)-2-hydroxybenzaldehyde (PubChem CID 12934647) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(diethylamino)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(diethylamino)-2-hydroxybenzaldehyde
PubChem CID12934647
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-(diethylamino)-2-hydroxybenzaldehyde
SMILESCCN(CC)c1ccc(O)c(C=O)c1
InChIInChI=1S/C11H15NO2/c1-3-12(4-2)10-5-6-11(14)9(7-10)8-13/h5-8,14H,3-4H2,1-2H3
InChIKeyQXSMPHMHBQPOJJ-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
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 5-(diethylamino)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(diethylamino)-2-hydroxybenzaldehyde (CID 12934647) is 5-(diethylamino)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(diethylamino)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(diethylamino)-2-hydroxybenzaldehyde is CCN(CC)c1ccc(O)c(C=O)c1.
What is the InChIKey of 5-(diethylamino)-2-hydroxybenzaldehyde?
The InChIKey is QXSMPHMHBQPOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12(4-2)10-5-6-11(14)9(7-10)8-13/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-hydroxybenzaldehyde?
5-(diethylamino)-2-hydroxybenzaldehyde has a molecular weight of 193.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-hydroxybenzaldehyde is sourced from PubChem (CID 12934647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).