N,N-dibenzyl-1-phenylmethanamine oxide

C21H21NO — CID 3624962

IUPACN,N-dibenzyl-1-phenylmethanamine oxide
SMILES[O-][N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyKIAARAUZZLGXFK-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.90
Rot. Bonds6

About N,N-dibenzyl-1-phenylmethanamine oxide

N,N-dibenzyl-1-phenylmethanamine oxide (PubChem CID 3624962) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N,N-dibenzyl-1-phenylmethanamine oxide.

Molecular Properties

Compound NameN,N-dibenzyl-1-phenylmethanamine oxide
PubChem CID3624962
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN,N-dibenzyl-1-phenylmethanamine oxide
SMILES[O-][N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H21NO/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyKIAARAUZZLGXFK-UHFFFAOYSA-N
XLogP4.90
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-phenylmethanamine oxide?
The IUPAC name of N,N-dibenzyl-1-phenylmethanamine oxide (CID 3624962) is N,N-dibenzyl-1-phenylmethanamine oxide.
What is the SMILES notation for N,N-dibenzyl-1-phenylmethanamine oxide?
The canonical SMILES for N,N-dibenzyl-1-phenylmethanamine oxide is [O-][N+](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-phenylmethanamine oxide?
The InChIKey is KIAARAUZZLGXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-22(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of N,N-dibenzyl-1-phenylmethanamine oxide?
N,N-dibenzyl-1-phenylmethanamine oxide has a molecular weight of 303.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-phenylmethanamine oxide is sourced from PubChem (CID 3624962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).