2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde

C10H13NO2 — CID 58512865

IUPAC2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde
SMILESCc1c(C)c(O)c(N)c(C=O)c1C
InChIInChI=1S/C10H13NO2/c1-5-6(2)8(4-12)9(11)10(13)7(5)3/h4,13H,11H2,1-3H3
InChIKeyJZVHOENWBMFRTE-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.71
Rot. Bonds1

About 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde

2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde (PubChem CID 58512865) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde.

Molecular Properties

Compound Name2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde
PubChem CID58512865
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde
SMILESCc1c(C)c(O)c(N)c(C=O)c1C
InChIInChI=1S/C10H13NO2/c1-5-6(2)8(4-12)9(11)10(13)7(5)3/h4,13H,11H2,1-3H3
InChIKeyJZVHOENWBMFRTE-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde 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 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde?
The IUPAC name of 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde (CID 58512865) is 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde.
What is the SMILES notation for 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde?
The canonical SMILES for 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde is Cc1c(C)c(O)c(N)c(C=O)c1C.
What is the InChIKey of 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde?
The InChIKey is JZVHOENWBMFRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-5-6(2)8(4-12)9(11)10(13)7(5)3/h4,13H,11H2,1-3H3.
What are the key properties of 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde?
2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde has a molecular weight of 179.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4,5,6-trimethylbenzaldehyde is sourced from PubChem (CID 58512865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).