4-(dimethylamino)benzaldehyde

C9H11NO — CID 7479

IUPAC4-(dimethylamino)benzaldehyde
SMILESCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIKeyBGNGWHSBYQYVRX-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.57
Rot. Bonds2

About 4-(dimethylamino)benzaldehyde

4-(dimethylamino)benzaldehyde (PubChem CID 7479) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-(dimethylamino)benzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)benzaldehyde
PubChem CID7479
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-(dimethylamino)benzaldehyde
SMILESCN(C)c1ccc(C=O)cc1
InChIInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIKeyBGNGWHSBYQYVRX-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.57
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 4-(dimethylamino)benzaldehyde?
The IUPAC name of 4-(dimethylamino)benzaldehyde (CID 7479) is 4-(dimethylamino)benzaldehyde.
What is the SMILES notation for 4-(dimethylamino)benzaldehyde?
The canonical SMILES for 4-(dimethylamino)benzaldehyde is CN(C)c1ccc(C=O)cc1.
What is the InChIKey of 4-(dimethylamino)benzaldehyde?
The InChIKey is BGNGWHSBYQYVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3.
What are the key properties of 4-(dimethylamino)benzaldehyde?
4-(dimethylamino)benzaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)benzaldehyde is sourced from PubChem (CID 7479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).