2-amino-6-methylbenzaldehyde

C8H9NO — CID 23046538

IUPAC2-amino-6-methylbenzaldehyde
SMILESCc1cccc(N)c1C=O
InChIInChI=1S/C8H9NO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,9H2,1H3
InChIKeyFETAMGUXMBZISE-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.39
Rot. Bonds1

About 2-amino-6-methylbenzaldehyde

2-amino-6-methylbenzaldehyde (PubChem CID 23046538) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-6-methylbenzaldehyde.

Molecular Properties

Compound Name2-amino-6-methylbenzaldehyde
PubChem CID23046538
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-amino-6-methylbenzaldehyde
SMILESCc1cccc(N)c1C=O
InChIInChI=1S/C8H9NO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,9H2,1H3
InChIKeyFETAMGUXMBZISE-UHFFFAOYSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.39
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 2-amino-6-methylbenzaldehyde?
The IUPAC name of 2-amino-6-methylbenzaldehyde (CID 23046538) is 2-amino-6-methylbenzaldehyde.
What is the SMILES notation for 2-amino-6-methylbenzaldehyde?
The canonical SMILES for 2-amino-6-methylbenzaldehyde is Cc1cccc(N)c1C=O.
What is the InChIKey of 2-amino-6-methylbenzaldehyde?
The InChIKey is FETAMGUXMBZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,9H2,1H3.
What are the key properties of 2-amino-6-methylbenzaldehyde?
2-amino-6-methylbenzaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylbenzaldehyde is sourced from PubChem (CID 23046538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).