3-(aminomethyl)benzaldehyde

C8H9NO — CID 15792912

IUPAC3-(aminomethyl)benzaldehyde
SMILESNCc1cccc(C=O)c1
InChIInChI=1S/C8H9NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5,9H2
InChIKeyGUCBUVXBLCUMPZ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.96
Rot. Bonds2

About 3-(aminomethyl)benzaldehyde

3-(aminomethyl)benzaldehyde (PubChem CID 15792912) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 3-(aminomethyl)benzaldehyde.

Molecular Properties

Compound Name3-(aminomethyl)benzaldehyde
PubChem CID15792912
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name3-(aminomethyl)benzaldehyde
SMILESNCc1cccc(C=O)c1
InChIInChI=1S/C8H9NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5,9H2
InChIKeyGUCBUVXBLCUMPZ-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 3-(aminomethyl)benzaldehyde?
The IUPAC name of 3-(aminomethyl)benzaldehyde (CID 15792912) is 3-(aminomethyl)benzaldehyde.
What is the SMILES notation for 3-(aminomethyl)benzaldehyde?
The canonical SMILES for 3-(aminomethyl)benzaldehyde is NCc1cccc(C=O)c1.
What is the InChIKey of 3-(aminomethyl)benzaldehyde?
The InChIKey is GUCBUVXBLCUMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5,9H2.
What are the key properties of 3-(aminomethyl)benzaldehyde?
3-(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 3-(aminomethyl)benzaldehyde is sourced from PubChem (CID 15792912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).