(1-ethoxy-2-phenoxyethylidene)azanium

C10H14NO2+ — CID 91267189

IUPAC(1-ethoxy-2-phenoxyethylidene)azanium
SMILESCCOC(=[NH2+])COc1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1
InChIKeySUFJOPUWZVEIHY-UHFFFAOYSA-O
MW180.23 g/mol
LogP0.26
Rot. Bonds4

About (1-ethoxy-2-phenoxyethylidene)azanium

(1-ethoxy-2-phenoxyethylidene)azanium (PubChem CID 91267189) has the molecular formula C10H14NO2+ and a molecular weight of 180.23 g/mol. Its IUPAC name is (1-ethoxy-2-phenoxyethylidene)azanium.

Molecular Properties

Compound Name(1-ethoxy-2-phenoxyethylidene)azanium
PubChem CID91267189
Molecular FormulaC10H14NO2+
Molecular Weight180.23 g/mol
Exact Mass180.10
IUPAC Name(1-ethoxy-2-phenoxyethylidene)azanium
SMILESCCOC(=[NH2+])COc1ccccc1
InChIInChI=1S/C10H13NO2/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1
InChIKeySUFJOPUWZVEIHY-UHFFFAOYSA-O
XLogP0.26
TPSA44.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-2-phenoxyethylidene)azanium?
The IUPAC name of (1-ethoxy-2-phenoxyethylidene)azanium (CID 91267189) is (1-ethoxy-2-phenoxyethylidene)azanium.
What is the SMILES notation for (1-ethoxy-2-phenoxyethylidene)azanium?
The canonical SMILES for (1-ethoxy-2-phenoxyethylidene)azanium is CCOC(=[NH2+])COc1ccccc1.
What is the InChIKey of (1-ethoxy-2-phenoxyethylidene)azanium?
The InChIKey is SUFJOPUWZVEIHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NO2/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3/p+1.
What are the key properties of (1-ethoxy-2-phenoxyethylidene)azanium?
(1-ethoxy-2-phenoxyethylidene)azanium has a molecular weight of 180.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-2-phenoxyethylidene)azanium is sourced from PubChem (CID 91267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).