2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde

C23H20F3NO — CID 59536784

IUPAC2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CC(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20F3NO/c24-23(25,26)21-13-7-12-20(14-21)22(17-28)27(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17,22H,15-16H2
InChIKeyZDUWDOOIULFTAE-UHFFFAOYSA-N
MW383.41 g/mol
LogP5.65
Rot. Bonds7

About 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde

2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 59536784) has the molecular formula C23H20F3NO and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde
PubChem CID59536784
Molecular FormulaC23H20F3NO
Molecular Weight383.41 g/mol
Exact Mass383.15
IUPAC Name2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde
SMILESO=CC(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H20F3NO/c24-23(25,26)21-13-7-12-20(14-21)22(17-28)27(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17,22H,15-16H2
InChIKeyZDUWDOOIULFTAE-UHFFFAOYSA-N
XLogP5.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.41
LogP ≤ 55.65
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

(6S)-4-(2-phenylacetyl)-6-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 122600671
(6S)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-6-(2-phenylethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 122600853
(6S)-6-(2-phenylethyl)-4-(3-phenylpropanoyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 122601025
N-(3,5-Bis-trifluoromethyl-benzyl)-N-methyl-2,2-diphenyl-acetamide
CID 44287511
1-Benzyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-one
CID 141447091
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)-2-(dibenzylamino)-2-phenylacetaldehyde
CID 10757730
(2R)-2-(dibenzylamino)-3-phenylpropanal
CID 10914478
(3S)-3-(dibenzylamino)-4-phenylbutan-2-one
CID 10925962
(2S)-2-(dibenzylamino)-1-phenylpentan-3-one
CID 11121869

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde (CID 59536784) is 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde is O=CC(c1cccc(C(F)(F)F)c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is ZDUWDOOIULFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO/c24-23(25,26)21-13-7-12-20(14-21)22(17-28)27(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17,22H,15-16H2.
What are the key properties of 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde?
2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 383.41 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-2-[3-(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 59536784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).