2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal

C23H21F2NO — CID 58622433

IUPAC2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal
SMILESO=CC(Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21F2NO/c24-21-11-20(12-22(25)14-21)13-23(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-12,14,17,23H,13,15-16H2
InChIKeySZABWPDCXQWVOD-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.78
Rot. Bonds8

About 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal

2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal (PubChem CID 58622433) has the molecular formula C23H21F2NO and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal.

Molecular Properties

Compound Name2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal
PubChem CID58622433
Molecular FormulaC23H21F2NO
Molecular Weight365.42 g/mol
Exact Mass365.16
IUPAC Name2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal
SMILESO=CC(Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H21F2NO/c24-21-11-20(12-22(25)14-21)13-23(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-12,14,17,23H,13,15-16H2
InChIKeySZABWPDCXQWVOD-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-Dibenzylamino-propionaldehyde
CID 11107860
1,4-Dibenzyl-3-(4-fluorophenyl)piperazin-2-one
CID 76144721
1-Benzyl-2-(4-fluorophenyl)piperidin-3-one
CID 141447102
2-(Dibenzylamino)-3-phenylpropanal
CID 563896
(alphaS)-alpha-[Bis(phenylmethyl)amino]benzenepropanal
CID 9883943
(2S)-1-tritylaziridine-2-carbaldehyde
CID 10267594
(Dibenzylamino)acetaldehyde
CID 13622256
(3S)-1,4-dibenzyl-3-(4-fluorophenyl)piperazin-2-one
CID 54579189
{4-[Bis(4-fluorophenyl)-methyl]piperazin-1-yl}acetaldehyde
CID 129769289
4S-4-Dibenzylamino-3-oxo-5-phenyl-pentanonitrile
CID 9951171
(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
CID 10757730
(2R)-2-(dibenzylamino)-3-phenylpropanal
CID 10914478

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal?
The IUPAC name of 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal (CID 58622433) is 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal.
What is the SMILES notation for 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal?
The canonical SMILES for 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal is O=CC(Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal?
The InChIKey is SZABWPDCXQWVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO/c24-21-11-20(12-22(25)14-21)13-23(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-12,14,17,23H,13,15-16H2.
What are the key properties of 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal?
2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal has a molecular weight of 365.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal is sourced from PubChem (CID 58622433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).