4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde

C11H15NO3 — CID 88634868

IUPAC4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
SMILESCOc1c(C)c(C=O)c(C)c(OC)c1N
InChIInChI=1S/C11H15NO3/c1-6-8(5-13)7(2)11(15-4)9(12)10(6)14-3/h5H,12H2,1-4H3
InChIKeyPNORZMGRIIOGFU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.72
Rot. Bonds3

About 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde

4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde (PubChem CID 88634868) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
PubChem CID88634868
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
SMILESCOc1c(C)c(C=O)c(C)c(OC)c1N
InChIInChI=1S/C11H15NO3/c1-6-8(5-13)7(2)11(15-4)9(12)10(6)14-3/h5H,12H2,1-4H3
InChIKeyPNORZMGRIIOGFU-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3,5-dimethoxy-2,6-dimethylbenzaldehyde?
The IUPAC name of 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde (CID 88634868) is 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde?
The canonical SMILES for 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde is COc1c(C)c(C=O)c(C)c(OC)c1N.
What is the InChIKey of 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde?
The InChIKey is PNORZMGRIIOGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-6-8(5-13)7(2)11(15-4)9(12)10(6)14-3/h5H,12H2,1-4H3.
What are the key properties of 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde?
4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde has a molecular weight of 209.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 88634868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).