N-methyl-2,2-diphenylethenimine

C15H13N — CID 596917

IUPACN-methyl-2,2-diphenylethenimine
SMILESCN=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyCXCYOMOOENLRBS-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.42
Rot. Bonds2

About N-methyl-2,2-diphenylethenimine

N-methyl-2,2-diphenylethenimine (PubChem CID 596917) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-2,2-diphenylethenimine.

Molecular Properties

Compound NameN-methyl-2,2-diphenylethenimine
PubChem CID596917
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC NameN-methyl-2,2-diphenylethenimine
SMILESCN=C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyCXCYOMOOENLRBS-UHFFFAOYSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-diphenylethenimine?
The IUPAC name of N-methyl-2,2-diphenylethenimine (CID 596917) is N-methyl-2,2-diphenylethenimine.
What is the SMILES notation for N-methyl-2,2-diphenylethenimine?
The canonical SMILES for N-methyl-2,2-diphenylethenimine is CN=C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-2,2-diphenylethenimine?
The InChIKey is CXCYOMOOENLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of N-methyl-2,2-diphenylethenimine?
N-methyl-2,2-diphenylethenimine has a molecular weight of 207.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,2-diphenylethenimine is sourced from PubChem (CID 596917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).