(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal

C23H22FNO — CID 59799850

IUPAC(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal
SMILESO=C[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,18,22H,15-17H2/t22-/m1/s1
InChIKeyQJVUOYFHDPVYAV-JOCHJYFZSA-N
MW347.43 g/mol
LogP4.64
Rot. Bonds8

About (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal

(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal (PubChem CID 59799850) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal
PubChem CID59799850
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC Name(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal
SMILESO=C[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,18,22H,15-17H2/t22-/m1/s1
InChIKeyQJVUOYFHDPVYAV-JOCHJYFZSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.64
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 (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal?
The IUPAC name of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal (CID 59799850) is (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal.
What is the SMILES notation for (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal?
The canonical SMILES for (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal is O=C[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal?
The InChIKey is QJVUOYFHDPVYAV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,18,22H,15-17H2/t22-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal?
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal has a molecular weight of 347.43 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propanal is sourced from PubChem (CID 59799850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).