(2S)-2-(dibenzylamino)-2-phenylacetaldehyde

C22H21NO — CID 10757730

IUPAC(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
SMILESO=C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO/c24-18-22(21-14-8-3-9-15-21)23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,18,22H,16-17H2/t22-/m1/s1
InChIKeyKNWVSTNJYQNFKG-JOCHJYFZSA-N
MW315.42 g/mol
LogP4.63
Rot. Bonds7

About (2S)-2-(dibenzylamino)-2-phenylacetaldehyde

(2S)-2-(dibenzylamino)-2-phenylacetaldehyde (PubChem CID 10757730) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
PubChem CID10757730
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(dibenzylamino)-2-phenylacetaldehyde
SMILESO=C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H21NO/c24-18-22(21-14-8-3-9-15-21)23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,18,22H,16-17H2/t22-/m1/s1
InChIKeyKNWVSTNJYQNFKG-JOCHJYFZSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.63
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 (2S)-2-(dibenzylamino)-2-phenylacetaldehyde?
The IUPAC name of (2S)-2-(dibenzylamino)-2-phenylacetaldehyde (CID 10757730) is (2S)-2-(dibenzylamino)-2-phenylacetaldehyde.
What is the SMILES notation for (2S)-2-(dibenzylamino)-2-phenylacetaldehyde?
The canonical SMILES for (2S)-2-(dibenzylamino)-2-phenylacetaldehyde is O=C[C@H](c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-2-phenylacetaldehyde?
The InChIKey is KNWVSTNJYQNFKG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21NO/c24-18-22(21-14-8-3-9-15-21)23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,18,22H,16-17H2/t22-/m1/s1.
What are the key properties of (2S)-2-(dibenzylamino)-2-phenylacetaldehyde?
(2S)-2-(dibenzylamino)-2-phenylacetaldehyde has a molecular weight of 315.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-2-phenylacetaldehyde is sourced from PubChem (CID 10757730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).