4-(dimethylamino)-2,6-dimethylbenzaldehyde

C11H15NO — CID 19787691

IUPAC4-(dimethylamino)-2,6-dimethylbenzaldehyde
SMILESCc1cc(N(C)C)cc(C)c1C=O
InChIInChI=1S/C11H15NO/c1-8-5-10(12(3)4)6-9(2)11(8)7-13/h5-7H,1-4H3
InChIKeyADDNDYGTXADGMI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.18
Rot. Bonds2

About 4-(dimethylamino)-2,6-dimethylbenzaldehyde

4-(dimethylamino)-2,6-dimethylbenzaldehyde (PubChem CID 19787691) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(dimethylamino)-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-2,6-dimethylbenzaldehyde
PubChem CID19787691
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-(dimethylamino)-2,6-dimethylbenzaldehyde
SMILESCc1cc(N(C)C)cc(C)c1C=O
InChIInChI=1S/C11H15NO/c1-8-5-10(12(3)4)6-9(2)11(8)7-13/h5-7H,1-4H3
InChIKeyADDNDYGTXADGMI-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.18
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)-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-(dimethylamino)-2,6-dimethylbenzaldehyde (CID 19787691) is 4-(dimethylamino)-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-2,6-dimethylbenzaldehyde is Cc1cc(N(C)C)cc(C)c1C=O.
What is the InChIKey of 4-(dimethylamino)-2,6-dimethylbenzaldehyde?
The InChIKey is ADDNDYGTXADGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-10(12(3)4)6-9(2)11(8)7-13/h5-7H,1-4H3.
What are the key properties of 4-(dimethylamino)-2,6-dimethylbenzaldehyde?
4-(dimethylamino)-2,6-dimethylbenzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 19787691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).