[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium

C12H20NO3+ — CID 150700391

IUPAC[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium
SMILESCCOC(OC)[N+](C)(C)Oc1ccccc1
InChIInChI=1S/C12H20NO3/c1-5-15-12(14-4)13(2,3)16-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3/q+1
InChIKeyJLTCBUKSOIBLIH-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.02
Rot. Bonds6

About [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium

[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium (PubChem CID 150700391) has the molecular formula C12H20NO3+ and a molecular weight of 226.30 g/mol. Its IUPAC name is [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium.

Molecular Properties

Compound Name[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium
PubChem CID150700391
Molecular FormulaC12H20NO3+
Molecular Weight226.30 g/mol
Exact Mass226.14
IUPAC Name[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium
SMILESCCOC(OC)[N+](C)(C)Oc1ccccc1
InChIInChI=1S/C12H20NO3/c1-5-15-12(14-4)13(2,3)16-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3/q+1
InChIKeyJLTCBUKSOIBLIH-UHFFFAOYSA-N
XLogP2.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566
2,6-dimethylheptan-4-yl-ethyl-methyl-phenoxyazanium
CID 175446495
(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium
CID 87407327
benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
2-ethoxy-2-phenoxyacetaldehyde
CID 173336659
anisole;argon;propane
CID 165043377
ethoxybenzene chloride
CID 21193593
[ethoxy(phenyl)methyl]-ethyl-dimethylazanium;chloride;hydrate
CID 87575810
ethyl-formyl-diphenoxyazanium
CID 88807310
bis(decane);phenoxyphosphane
CID 91140487
1-methoxyethoxybenzene
CID 18188895

Frequently Asked Questions

What is the IUPAC name of [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium?
The IUPAC name of [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium (CID 150700391) is [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium.
What is the SMILES notation for [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium?
The canonical SMILES for [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium is CCOC(OC)[N+](C)(C)Oc1ccccc1.
What is the InChIKey of [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium?
The InChIKey is JLTCBUKSOIBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3/c1-5-15-12(14-4)13(2,3)16-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3/q+1.
What are the key properties of [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium?
[ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium has a molecular weight of 226.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(methoxy)methyl]-dimethyl-phenoxyazanium is sourced from PubChem (CID 150700391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).