4-amino-2,3,5,6-tetramethylbenzaldehyde

C11H15NO — CID 12936049

IUPAC4-amino-2,3,5,6-tetramethylbenzaldehyde
SMILESCc1c(C)c(C=O)c(C)c(C)c1N
InChIInChI=1S/C11H15NO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h5H,12H2,1-4H3
InChIKeyRWLVOECAMREUIZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.31
Rot. Bonds1

About 4-amino-2,3,5,6-tetramethylbenzaldehyde

4-amino-2,3,5,6-tetramethylbenzaldehyde (PubChem CID 12936049) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-amino-2,3,5,6-tetramethylbenzaldehyde.

Molecular Properties

Compound Name4-amino-2,3,5,6-tetramethylbenzaldehyde
PubChem CID12936049
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-amino-2,3,5,6-tetramethylbenzaldehyde
SMILESCc1c(C)c(C=O)c(C)c(C)c1N
InChIInChI=1S/C11H15NO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h5H,12H2,1-4H3
InChIKeyRWLVOECAMREUIZ-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3,5,6-tetramethylbenzaldehyde?
The IUPAC name of 4-amino-2,3,5,6-tetramethylbenzaldehyde (CID 12936049) is 4-amino-2,3,5,6-tetramethylbenzaldehyde.
What is the SMILES notation for 4-amino-2,3,5,6-tetramethylbenzaldehyde?
The canonical SMILES for 4-amino-2,3,5,6-tetramethylbenzaldehyde is Cc1c(C)c(C=O)c(C)c(C)c1N.
What is the InChIKey of 4-amino-2,3,5,6-tetramethylbenzaldehyde?
The InChIKey is RWLVOECAMREUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h5H,12H2,1-4H3.
What are the key properties of 4-amino-2,3,5,6-tetramethylbenzaldehyde?
4-amino-2,3,5,6-tetramethylbenzaldehyde has a molecular weight of 177.25 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3,5,6-tetramethylbenzaldehyde is sourced from PubChem (CID 12936049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).