3-[benzyl(ethyl)amino]benzaldehyde

C16H17NO — CID 84758568

IUPAC3-[benzyl(ethyl)amino]benzaldehyde
SMILESCCN(Cc1ccccc1)c1cccc(C=O)c1
InChIInChI=1S/C16H17NO/c1-2-17(12-14-7-4-3-5-8-14)16-10-6-9-15(11-16)13-18/h3-11,13H,2,12H2,1H3
InChIKeySSFKBOVASITUPH-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.53
Rot. Bonds5

About 3-[benzyl(ethyl)amino]benzaldehyde

3-[benzyl(ethyl)amino]benzaldehyde (PubChem CID 84758568) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]benzaldehyde.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]benzaldehyde
PubChem CID84758568
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-[benzyl(ethyl)amino]benzaldehyde
SMILESCCN(Cc1ccccc1)c1cccc(C=O)c1
InChIInChI=1S/C16H17NO/c1-2-17(12-14-7-4-3-5-8-14)16-10-6-9-15(11-16)13-18/h3-11,13H,2,12H2,1H3
InChIKeySSFKBOVASITUPH-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[benzyl(ethyl)amino]benzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]benzaldehyde?
The IUPAC name of 3-[benzyl(ethyl)amino]benzaldehyde (CID 84758568) is 3-[benzyl(ethyl)amino]benzaldehyde.
What is the SMILES notation for 3-[benzyl(ethyl)amino]benzaldehyde?
The canonical SMILES for 3-[benzyl(ethyl)amino]benzaldehyde is CCN(Cc1ccccc1)c1cccc(C=O)c1.
What is the InChIKey of 3-[benzyl(ethyl)amino]benzaldehyde?
The InChIKey is SSFKBOVASITUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-17(12-14-7-4-3-5-8-14)16-10-6-9-15(11-16)13-18/h3-11,13H,2,12H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]benzaldehyde?
3-[benzyl(ethyl)amino]benzaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]benzaldehyde is sourced from PubChem (CID 84758568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).