2-(propan-2-ylamino)benzaldehyde

C10H13NO — CID 11041035

IUPAC2-(propan-2-ylamino)benzaldehyde
SMILESCC(C)Nc1ccccc1C=O
InChIInChI=1S/C10H13NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-8,11H,1-2H3
InChIKeyVEENASAWEHHFHV-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.32
Rot. Bonds3

About 2-(propan-2-ylamino)benzaldehyde

2-(propan-2-ylamino)benzaldehyde (PubChem CID 11041035) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(propan-2-ylamino)benzaldehyde.

Molecular Properties

Compound Name2-(propan-2-ylamino)benzaldehyde
PubChem CID11041035
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(propan-2-ylamino)benzaldehyde
SMILESCC(C)Nc1ccccc1C=O
InChIInChI=1S/C10H13NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-8,11H,1-2H3
InChIKeyVEENASAWEHHFHV-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)benzaldehyde?
The IUPAC name of 2-(propan-2-ylamino)benzaldehyde (CID 11041035) is 2-(propan-2-ylamino)benzaldehyde.
What is the SMILES notation for 2-(propan-2-ylamino)benzaldehyde?
The canonical SMILES for 2-(propan-2-ylamino)benzaldehyde is CC(C)Nc1ccccc1C=O.
What is the InChIKey of 2-(propan-2-ylamino)benzaldehyde?
The InChIKey is VEENASAWEHHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-8,11H,1-2H3.
What are the key properties of 2-(propan-2-ylamino)benzaldehyde?
2-(propan-2-ylamino)benzaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)benzaldehyde is sourced from PubChem (CID 11041035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).