ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium

C20H28NO+ — CID 3022966

IUPACethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium
SMILESCC[N+](C)(C)CCOCc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H28NO/c1-5-21(3,4)14-15-22-16-18-11-7-9-13-20(18)19-12-8-6-10-17(19)2/h6-13H,5,14-16H2,1-4H3/q+1
InChIKeyAZAMGFSOBMTZJT-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.27
Rot. Bonds7

About ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium

ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium (PubChem CID 3022966) has the molecular formula C20H28NO+ and a molecular weight of 298.45 g/mol. Its IUPAC name is ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium
PubChem CID3022966
Molecular FormulaC20H28NO+
Molecular Weight298.45 g/mol
Exact Mass298.22
IUPAC Nameethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium
SMILESCC[N+](C)(C)CCOCc1ccccc1-c1ccccc1C
InChIInChI=1S/C20H28NO/c1-5-21(3,4)14-15-22-16-18-11-7-9-13-20(18)19-12-8-6-10-17(19)2/h6-13H,5,14-16H2,1-4H3/q+1
InChIKeyAZAMGFSOBMTZJT-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium 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 ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium?
The IUPAC name of ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium (CID 3022966) is ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium?
The canonical SMILES for ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium is CC[N+](C)(C)CCOCc1ccccc1-c1ccccc1C.
What is the InChIKey of ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium?
The InChIKey is AZAMGFSOBMTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO/c1-5-21(3,4)14-15-22-16-18-11-7-9-13-20(18)19-12-8-6-10-17(19)2/h6-13H,5,14-16H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium?
ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium has a molecular weight of 298.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[2-[[2-(2-methylphenyl)phenyl]methoxy]ethyl]azanium is sourced from PubChem (CID 3022966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).