2-(2-aminophenyl)acetaldehyde

C8H9NO — CID 12570787

IUPAC2-(2-aminophenyl)acetaldehyde
SMILESNc1ccccc1CC=O
InChIInChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5,9H2
InChIKeyNDDOLXKGDAEEAC-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.01
Rot. Bonds2

About 2-(2-aminophenyl)acetaldehyde

2-(2-aminophenyl)acetaldehyde (PubChem CID 12570787) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(2-aminophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-aminophenyl)acetaldehyde
PubChem CID12570787
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-(2-aminophenyl)acetaldehyde
SMILESNc1ccccc1CC=O
InChIInChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5,9H2
InChIKeyNDDOLXKGDAEEAC-UHFFFAOYSA-N
XLogP1.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.01
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-(2-aminophenyl)acetaldehyde?
The IUPAC name of 2-(2-aminophenyl)acetaldehyde (CID 12570787) is 2-(2-aminophenyl)acetaldehyde.
What is the SMILES notation for 2-(2-aminophenyl)acetaldehyde?
The canonical SMILES for 2-(2-aminophenyl)acetaldehyde is Nc1ccccc1CC=O.
What is the InChIKey of 2-(2-aminophenyl)acetaldehyde?
The InChIKey is NDDOLXKGDAEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5,9H2.
What are the key properties of 2-(2-aminophenyl)acetaldehyde?
2-(2-aminophenyl)acetaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)acetaldehyde is sourced from PubChem (CID 12570787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).