2-(Dibenzylamino)-3-phenylpropanal

HCID 563896

Notes Reactions

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Basic information

Standard SMILES: O=CC(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIKey: LVENEHWRFFVCML-UHFFFAOYSA-N
Molecular formula: C23H23NO
Average molar mass: 329.4 g/mol

Names & identifiers

Preferred name: 2-(Dibenzylamino)-3-phenylpropanal
IUPAC: 2-(dibenzylamino)-3-phenylpropanal

Names & synonyms

2-(Dibenzylamino)-3-phenylpropanalSCHEMBL4754322-(Dibenzylamino)-3-phenylpropanal #Benzenepropanal, .alpha.-[bis(phenylmethyl)amino]-

Database identifiers

PubChem CID: 563896
Nikkaji: J1.559.805K

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 344

Related reactions

10 records

New reaction record

HRID 99978As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 209447As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302651As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1133745As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1222032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1226060As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1229166As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1436491As reactantuspto-grants-2009_11

Compound notes

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