N-benzyl-1-phenyl-N-phenylmethoxymethanamine

C21H21NO — CID 12045651

IUPACN-benzyl-1-phenyl-N-phenylmethoxymethanamine
SMILESc1ccc(CON(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyLOAWCUXHTNUKDW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.82
Rot. Bonds7

About N-benzyl-1-phenyl-N-phenylmethoxymethanamine

N-benzyl-1-phenyl-N-phenylmethoxymethanamine (PubChem CID 12045651) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is N-benzyl-1-phenyl-N-phenylmethoxymethanamine.

Molecular Properties

Compound NameN-benzyl-1-phenyl-N-phenylmethoxymethanamine
PubChem CID12045651
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC NameN-benzyl-1-phenyl-N-phenylmethoxymethanamine
SMILESc1ccc(CON(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H21NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKeyLOAWCUXHTNUKDW-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-N-phenylmethoxymethanamine?
The IUPAC name of N-benzyl-1-phenyl-N-phenylmethoxymethanamine (CID 12045651) is N-benzyl-1-phenyl-N-phenylmethoxymethanamine.
What is the SMILES notation for N-benzyl-1-phenyl-N-phenylmethoxymethanamine?
The canonical SMILES for N-benzyl-1-phenyl-N-phenylmethoxymethanamine is c1ccc(CON(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenyl-N-phenylmethoxymethanamine?
The InChIKey is LOAWCUXHTNUKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)23-18-21-14-8-3-9-15-21/h1-15H,16-18H2.
What are the key properties of N-benzyl-1-phenyl-N-phenylmethoxymethanamine?
N-benzyl-1-phenyl-N-phenylmethoxymethanamine has a molecular weight of 303.41 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-N-phenylmethoxymethanamine is sourced from PubChem (CID 12045651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).