N-benzyl-N-methyl-1-phenylmethanamine oxide

C15H17NO — CID 13418708

IUPACN-benzyl-N-methyl-1-phenylmethanamine oxide
SMILESC[N+]([O-])(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17NO/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyCXGVWMZSABOOPT-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.33
Rot. Bonds4

About N-benzyl-N-methyl-1-phenylmethanamine oxide

N-benzyl-N-methyl-1-phenylmethanamine oxide (PubChem CID 13418708) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-phenylmethanamine oxide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-phenylmethanamine oxide
PubChem CID13418708
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-benzyl-N-methyl-1-phenylmethanamine oxide
SMILESC[N+]([O-])(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H17NO/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyCXGVWMZSABOOPT-UHFFFAOYSA-N
XLogP3.33
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.33
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-benzyl-N-methyl-1-phenylmethanamine oxide?
The IUPAC name of N-benzyl-N-methyl-1-phenylmethanamine oxide (CID 13418708) is N-benzyl-N-methyl-1-phenylmethanamine oxide.
What is the SMILES notation for N-benzyl-N-methyl-1-phenylmethanamine oxide?
The canonical SMILES for N-benzyl-N-methyl-1-phenylmethanamine oxide is C[N+]([O-])(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-1-phenylmethanamine oxide?
The InChIKey is CXGVWMZSABOOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(17,12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-phenylmethanamine oxide?
N-benzyl-N-methyl-1-phenylmethanamine oxide has a molecular weight of 227.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-phenylmethanamine oxide is sourced from PubChem (CID 13418708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).