2-[2-(aminomethyl)phenyl]acetaldehyde

C9H11NO — CID 20545258

IUPAC2-[2-(aminomethyl)phenyl]acetaldehyde
SMILESNCc1ccccc1CC=O
InChIInChI=1S/C9H11NO/c10-7-9-4-2-1-3-8(9)5-6-11/h1-4,6H,5,7,10H2
InChIKeyCCESRCIELWUOKX-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.89
Rot. Bonds3

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

2-[2-(aminomethyl)phenyl]acetaldehyde (PubChem CID 20545258) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]acetaldehyde
PubChem CID20545258
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-[2-(aminomethyl)phenyl]acetaldehyde
SMILESNCc1ccccc1CC=O
InChIInChI=1S/C9H11NO/c10-7-9-4-2-1-3-8(9)5-6-11/h1-4,6H,5,7,10H2
InChIKeyCCESRCIELWUOKX-UHFFFAOYSA-N
XLogP0.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.89
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]acetaldehyde?
The IUPAC name of 2-[2-(aminomethyl)phenyl]acetaldehyde (CID 20545258) is 2-[2-(aminomethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]acetaldehyde is NCc1ccccc1CC=O.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]acetaldehyde?
The InChIKey is CCESRCIELWUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-7-9-4-2-1-3-8(9)5-6-11/h1-4,6H,5,7,10H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]acetaldehyde?
2-[2-(aminomethyl)phenyl]acetaldehyde has a molecular weight of 149.19 g/mol, XLogP of 0.89, 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]acetaldehyde is sourced from PubChem (CID 20545258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).