[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium

C16H16N+ — CID 123275479

IUPAC[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium
SMILESC#[N+]Cc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H16N/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17-2/h2,4-11H,3,12H2,1H3/q+1
InChIKeyNTATYBONDKHXAE-UHFFFAOYSA-N
MW222.31 g/mol
LogP4.38
Rot. Bonds3

About [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium

[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium (PubChem CID 123275479) has the molecular formula C16H16N+ and a molecular weight of 222.31 g/mol. Its IUPAC name is [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium.

Molecular Properties

Compound Name[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium
PubChem CID123275479
Molecular FormulaC16H16N+
Molecular Weight222.31 g/mol
Exact Mass222.13
IUPAC Name[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium
SMILESC#[N+]Cc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C16H16N/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17-2/h2,4-11H,3,12H2,1H3/q+1
InChIKeyNTATYBONDKHXAE-UHFFFAOYSA-N
XLogP4.38
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium?
The IUPAC name of [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium (CID 123275479) is [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium.
What is the SMILES notation for [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium?
The canonical SMILES for [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium is C#[N+]Cc1ccc(-c2ccc(CC)cc2)cc1.
What is the InChIKey of [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium?
The InChIKey is NTATYBONDKHXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N/c1-3-13-4-8-15(9-5-13)16-10-6-14(7-11-16)12-17-2/h2,4-11H,3,12H2,1H3/q+1.
What are the key properties of [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium?
[4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium has a molecular weight of 222.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylphenyl)phenyl]methyl-methylidyneazanium is sourced from PubChem (CID 123275479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).