4-(aminomethyl)benzaldehyde

C8H9NO — CID 22929228

IUPAC4-(aminomethyl)benzaldehyde
SMILESNCc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5,9H2
InChIKeyWTOVNDAVEOVZAL-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.96
Rot. Bonds2

About 4-(aminomethyl)benzaldehyde

4-(aminomethyl)benzaldehyde (PubChem CID 22929228) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 4-(aminomethyl)benzaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)benzaldehyde
PubChem CID22929228
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name4-(aminomethyl)benzaldehyde
SMILESNCc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5,9H2
InChIKeyWTOVNDAVEOVZAL-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
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 4-(aminomethyl)benzaldehyde?
The IUPAC name of 4-(aminomethyl)benzaldehyde (CID 22929228) is 4-(aminomethyl)benzaldehyde.
What is the SMILES notation for 4-(aminomethyl)benzaldehyde?
The canonical SMILES for 4-(aminomethyl)benzaldehyde is NCc1ccc(C=O)cc1.
What is the InChIKey of 4-(aminomethyl)benzaldehyde?
The InChIKey is WTOVNDAVEOVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5,9H2.
What are the key properties of 4-(aminomethyl)benzaldehyde?
4-(aminomethyl)benzaldehyde has a molecular weight of 135.17 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzaldehyde is sourced from PubChem (CID 22929228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).