4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde

C13H19NO — CID 20656490

IUPAC4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde
SMILESCc1c(C)c(N(C)C)c(C)c(C)c1C=O
InChIInChI=1S/C13H19NO/c1-8-10(3)13(14(5)6)11(4)9(2)12(8)7-15/h7H,1-6H3
InChIKeyRBHNMPTVHBZLQY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.80
Rot. Bonds2

About 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde

4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde (PubChem CID 20656490) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde
PubChem CID20656490
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde
SMILESCc1c(C)c(N(C)C)c(C)c(C)c1C=O
InChIInChI=1S/C13H19NO/c1-8-10(3)13(14(5)6)11(4)9(2)12(8)7-15/h7H,1-6H3
InChIKeyRBHNMPTVHBZLQY-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde?
The IUPAC name of 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde (CID 20656490) is 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde is Cc1c(C)c(N(C)C)c(C)c(C)c1C=O.
What is the InChIKey of 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde?
The InChIKey is RBHNMPTVHBZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-10(3)13(14(5)6)11(4)9(2)12(8)7-15/h7H,1-6H3.
What are the key properties of 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde?
4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde has a molecular weight of 205.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,3,5,6-tetramethylbenzaldehyde is sourced from PubChem (CID 20656490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).