trimethyl-(4-phenoxyphenyl)azanium

C15H18NO+ — CID 122519825

IUPACtrimethyl-(4-phenoxyphenyl)azanium
SMILESC[N+](C)(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18NO/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3/q+1
InChIKeyIKBRJJCALDQHJE-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.68
Rot. Bonds3

About trimethyl-(4-phenoxyphenyl)azanium

trimethyl-(4-phenoxyphenyl)azanium (PubChem CID 122519825) has the molecular formula C15H18NO+ and a molecular weight of 228.31 g/mol. Its IUPAC name is trimethyl-(4-phenoxyphenyl)azanium.

Molecular Properties

Compound Nametrimethyl-(4-phenoxyphenyl)azanium
PubChem CID122519825
Molecular FormulaC15H18NO+
Molecular Weight228.31 g/mol
Exact Mass228.14
IUPAC Nametrimethyl-(4-phenoxyphenyl)azanium
SMILESC[N+](C)(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H18NO/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3/q+1
InChIKeyIKBRJJCALDQHJE-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-phenoxyphenyl)azanium?
The IUPAC name of trimethyl-(4-phenoxyphenyl)azanium (CID 122519825) is trimethyl-(4-phenoxyphenyl)azanium.
What is the SMILES notation for trimethyl-(4-phenoxyphenyl)azanium?
The canonical SMILES for trimethyl-(4-phenoxyphenyl)azanium is C[N+](C)(C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of trimethyl-(4-phenoxyphenyl)azanium?
The InChIKey is IKBRJJCALDQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO/c1-16(2,3)13-9-11-15(12-10-13)17-14-7-5-4-6-8-14/h4-12H,1-3H3/q+1.
What are the key properties of trimethyl-(4-phenoxyphenyl)azanium?
trimethyl-(4-phenoxyphenyl)azanium has a molecular weight of 228.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-phenoxyphenyl)azanium is sourced from PubChem (CID 122519825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).