3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde

C23H23NO — CID 89003105

IUPAC3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
SMILESCCN(Cc1ccccc1)Cc1cc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C23H23NO/c1-2-24(16-19-9-5-3-6-10-19)17-22-15-20(18-25)13-14-23(22)21-11-7-4-8-12-21/h3-15,18H,2,16-17H2,1H3
InChIKeyYIDSZXDGQSHIPT-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.19
Rot. Bonds7

About 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde

3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde (PubChem CID 89003105) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde.

Molecular Properties

Compound Name3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
PubChem CID89003105
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde
SMILESCCN(Cc1ccccc1)Cc1cc(C=O)ccc1-c1ccccc1
InChIInChI=1S/C23H23NO/c1-2-24(16-19-9-5-3-6-10-19)17-22-15-20(18-25)13-14-23(22)21-11-7-4-8-12-21/h3-15,18H,2,16-17H2,1H3
InChIKeyYIDSZXDGQSHIPT-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
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-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde?
The IUPAC name of 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde (CID 89003105) is 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde.
What is the SMILES notation for 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde?
The canonical SMILES for 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde is CCN(Cc1ccccc1)Cc1cc(C=O)ccc1-c1ccccc1.
What is the InChIKey of 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde?
The InChIKey is YIDSZXDGQSHIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-2-24(16-19-9-5-3-6-10-19)17-22-15-20(18-25)13-14-23(22)21-11-7-4-8-12-21/h3-15,18H,2,16-17H2,1H3.
What are the key properties of 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde?
3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde has a molecular weight of 329.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(ethyl)amino]methyl]-4-phenylbenzaldehyde is sourced from PubChem (CID 89003105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).