3-bromo-4-(diethylamino)benzaldehyde

C11H14BrNO — CID 4769245

IUPAC3-bromo-4-(diethylamino)benzaldehyde
SMILESCCN(CC)c1ccc(C=O)cc1Br
InChIInChI=1S/C11H14BrNO/c1-3-13(4-2)11-6-5-9(8-14)7-10(11)12/h5-8H,3-4H2,1-2H3
InChIKeyFOQZMSLRYCONFG-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.11
Rot. Bonds4

About 3-bromo-4-(diethylamino)benzaldehyde

3-bromo-4-(diethylamino)benzaldehyde (PubChem CID 4769245) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-bromo-4-(diethylamino)benzaldehyde.

Molecular Properties

Compound Name3-bromo-4-(diethylamino)benzaldehyde
PubChem CID4769245
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-bromo-4-(diethylamino)benzaldehyde
SMILESCCN(CC)c1ccc(C=O)cc1Br
InChIInChI=1S/C11H14BrNO/c1-3-13(4-2)11-6-5-9(8-14)7-10(11)12/h5-8H,3-4H2,1-2H3
InChIKeyFOQZMSLRYCONFG-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(diethylamino)benzaldehyde?
The IUPAC name of 3-bromo-4-(diethylamino)benzaldehyde (CID 4769245) is 3-bromo-4-(diethylamino)benzaldehyde.
What is the SMILES notation for 3-bromo-4-(diethylamino)benzaldehyde?
The canonical SMILES for 3-bromo-4-(diethylamino)benzaldehyde is CCN(CC)c1ccc(C=O)cc1Br.
What is the InChIKey of 3-bromo-4-(diethylamino)benzaldehyde?
The InChIKey is FOQZMSLRYCONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-13(4-2)11-6-5-9(8-14)7-10(11)12/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-bromo-4-(diethylamino)benzaldehyde?
3-bromo-4-(diethylamino)benzaldehyde has a molecular weight of 256.14 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(diethylamino)benzaldehyde is sourced from PubChem (CID 4769245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).