2-[2-(aminomethyl)phenyl]benzaldehyde

C14H13NO — CID 131843723

IUPAC2-[2-(aminomethyl)phenyl]benzaldehyde
SMILESNCc1ccccc1-c1ccccc1C=O
InChIInChI=1S/C14H13NO/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,10H,9,15H2
InChIKeyZOTVFTFMKKEJSU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.62
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]benzaldehyde

2-[2-(aminomethyl)phenyl]benzaldehyde (PubChem CID 131843723) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]benzaldehyde
PubChem CID131843723
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-[2-(aminomethyl)phenyl]benzaldehyde
SMILESNCc1ccccc1-c1ccccc1C=O
InChIInChI=1S/C14H13NO/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,10H,9,15H2
InChIKeyZOTVFTFMKKEJSU-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.62
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-[2-(aminomethyl)phenyl]benzaldehyde?
The IUPAC name of 2-[2-(aminomethyl)phenyl]benzaldehyde (CID 131843723) is 2-[2-(aminomethyl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]benzaldehyde?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]benzaldehyde is NCc1ccccc1-c1ccccc1C=O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]benzaldehyde?
The InChIKey is ZOTVFTFMKKEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8,10H,9,15H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]benzaldehyde?
2-[2-(aminomethyl)phenyl]benzaldehyde has a molecular weight of 211.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]benzaldehyde is sourced from PubChem (CID 131843723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).