trimethyl(2-phenoxyethyl)azanium

C11H18NO+ — CID 9725

IUPACtrimethyl(2-phenoxyethyl)azanium
SMILESC[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyVCXBSHBJVUIQHJ-UHFFFAOYSA-N
MW180.27 g/mol
LogP1.77
Rot. Bonds4

About trimethyl(2-phenoxyethyl)azanium

trimethyl(2-phenoxyethyl)azanium (PubChem CID 9725) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is trimethyl(2-phenoxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-phenoxyethyl)azanium
PubChem CID9725
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Nametrimethyl(2-phenoxyethyl)azanium
SMILESC[N+](C)(C)CCOc1ccccc1
InChIInChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKeyVCXBSHBJVUIQHJ-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.77
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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Related Compounds

Pramoxine
CID 4886
Phenyltoloxamine
CID 7077
Domiphen Bromide
CID 10866
Pramoxine Hydrochloride
CID 73957
Phenetole
CID 7674
Butyl phenyl ether
CID 14311
2-Phenoxyethanamine
CID 15651
Allyl phenyl ether
CID 74458
Medifoxamine
CID 36109
Stilonium Iodide
CID 6433339
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
Methyl(2-phenoxyethyl)amine
CID 37732

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-phenoxyethyl)azanium?
The IUPAC name of trimethyl(2-phenoxyethyl)azanium (CID 9725) is trimethyl(2-phenoxyethyl)azanium.
What is the SMILES notation for trimethyl(2-phenoxyethyl)azanium?
The canonical SMILES for trimethyl(2-phenoxyethyl)azanium is C[N+](C)(C)CCOc1ccccc1.
What is the InChIKey of trimethyl(2-phenoxyethyl)azanium?
The InChIKey is VCXBSHBJVUIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1.
What are the key properties of trimethyl(2-phenoxyethyl)azanium?
trimethyl(2-phenoxyethyl)azanium has a molecular weight of 180.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenoxyethyl)azanium is sourced from PubChem (CID 9725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).