2-(3-ethoxyphenoxy)ethyl-dimethylazanium

C12H20NO2+ — CID 7413651

IUPAC2-(3-ethoxyphenoxy)ethyl-dimethylazanium
SMILESCCOc1cccc(OCC[NH+](C)C)c1
InChIInChI=1S/C12H19NO2/c1-4-14-11-6-5-7-12(10-11)15-9-8-13(2)3/h5-7,10H,4,8-9H2,1-3H3/p+1
InChIKeyWLQKHBJDSDETGQ-UHFFFAOYSA-O
MW210.30 g/mol
LogP0.61
Rot. Bonds6

About 2-(3-ethoxyphenoxy)ethyl-dimethylazanium

2-(3-ethoxyphenoxy)ethyl-dimethylazanium (PubChem CID 7413651) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(3-ethoxyphenoxy)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(3-ethoxyphenoxy)ethyl-dimethylazanium
PubChem CID7413651
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-(3-ethoxyphenoxy)ethyl-dimethylazanium
SMILESCCOc1cccc(OCC[NH+](C)C)c1
InChIInChI=1S/C12H19NO2/c1-4-14-11-6-5-7-12(10-11)15-9-8-13(2)3/h5-7,10H,4,8-9H2,1-3H3/p+1
InChIKeyWLQKHBJDSDETGQ-UHFFFAOYSA-O
XLogP0.61
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-(3-ethoxyphenoxy)propyl]aniline
CID 62584936
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
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1,3-dihexadecoxybenzene
CID 12686834

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenoxy)ethyl-dimethylazanium?
The IUPAC name of 2-(3-ethoxyphenoxy)ethyl-dimethylazanium (CID 7413651) is 2-(3-ethoxyphenoxy)ethyl-dimethylazanium.
What is the SMILES notation for 2-(3-ethoxyphenoxy)ethyl-dimethylazanium?
The canonical SMILES for 2-(3-ethoxyphenoxy)ethyl-dimethylazanium is CCOc1cccc(OCC[NH+](C)C)c1.
What is the InChIKey of 2-(3-ethoxyphenoxy)ethyl-dimethylazanium?
The InChIKey is WLQKHBJDSDETGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NO2/c1-4-14-11-6-5-7-12(10-11)15-9-8-13(2)3/h5-7,10H,4,8-9H2,1-3H3/p+1.
What are the key properties of 2-(3-ethoxyphenoxy)ethyl-dimethylazanium?
2-(3-ethoxyphenoxy)ethyl-dimethylazanium has a molecular weight of 210.30 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenoxy)ethyl-dimethylazanium is sourced from PubChem (CID 7413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).