4-[[benzyl(hydroxy)amino]methyl]benzaldehyde

C15H15NO2 — CID 143874534

IUPAC4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
SMILESO=Cc1ccc(CN(O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c17-12-15-8-6-14(7-9-15)11-16(18)10-13-4-2-1-3-5-13/h1-9,12,18H,10-11H2
InChIKeyFASXACSWHOFDPY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.89
Rot. Bonds5

About 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde

4-[[benzyl(hydroxy)amino]methyl]benzaldehyde (PubChem CID 143874534) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
PubChem CID143874534
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-[[benzyl(hydroxy)amino]methyl]benzaldehyde
SMILESO=Cc1ccc(CN(O)Cc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c17-12-15-8-6-14(7-9-15)11-16(18)10-13-4-2-1-3-5-13/h1-9,12,18H,10-11H2
InChIKeyFASXACSWHOFDPY-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-N-methylbenzamide
CID 371715
N-Methoxy-N-methylbenzamide
CID 569575
N-methyl-4-toluohydroxamic acid
CID 150934
1-N-benzyl-4-N-hydroxybenzene-1,4-dicarboxamide
CID 9835152
4-[[benzoyl(methyl)amino]methyl]-N-hydroxybenzamide
CID 168279961
4-(Pyrrolidine-1-carbonyl)benzaldehyde
CID 12788044
N-Methoxy-N,4-dimethylbenzamide
CID 5133773
4-[(benzylamino)methyl]-N-hydroxybenzamide
CID 168277225
N-hydroxy-N-methyl-4-(4-phenylbutyl)benzamide
CID 13672808
4-Dimethylaminomethylbenzaldehyde
CID 193251
N,N-diethyl-4-formylbenzamide
CID 10954698
4-[(cyclohexylamino)methyl]-N-hydroxybenzamide
CID 25218546

Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde?
The IUPAC name of 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde (CID 143874534) is 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde.
What is the SMILES notation for 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde?
The canonical SMILES for 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde is O=Cc1ccc(CN(O)Cc2ccccc2)cc1.
What is the InChIKey of 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde?
The InChIKey is FASXACSWHOFDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-12-15-8-6-14(7-9-15)11-16(18)10-13-4-2-1-3-5-13/h1-9,12,18H,10-11H2.
What are the key properties of 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde?
4-[[benzyl(hydroxy)amino]methyl]benzaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(hydroxy)amino]methyl]benzaldehyde is sourced from PubChem (CID 143874534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).