2-(1H-indol-3-yloxy)ethyl-trimethylazanium

C13H19N2O+ — CID 173099162

IUPAC2-(1H-indol-3-yloxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N2O/c1-15(2,3)8-9-16-13-10-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/q+1
InChIKeyUNCXVVWUUHRGIZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.25
Rot. Bonds4

About 2-(1H-indol-3-yloxy)ethyl-trimethylazanium

2-(1H-indol-3-yloxy)ethyl-trimethylazanium (PubChem CID 173099162) has the molecular formula C13H19N2O+ and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(1H-indol-3-yloxy)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(1H-indol-3-yloxy)ethyl-trimethylazanium
PubChem CID173099162
Molecular FormulaC13H19N2O+
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name2-(1H-indol-3-yloxy)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOc1c[nH]c2ccccc12
InChIInChI=1S/C13H19N2O/c1-15(2,3)8-9-16-13-10-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/q+1
InChIKeyUNCXVVWUUHRGIZ-UHFFFAOYSA-N
XLogP2.25
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-3-yloxymethanol
CID 169101748
N-(1H-indol-3-yloxymethyl)-N-methylethanamine
CID 68875687
3-methylperoxy-1H-indole
CID 21122990
CID 174586583
CID 174586583
3-(bromomethoxy)-1H-quinolin-4-one
CID 156738403
1H-indol-3-yl 4-methylbenzenesulfonate
CID 15090504
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
calcium;hydride;1H-indol-3-yl formate;hydrochloride
CID 175504569
N-ethyl-1H-indol-3-amine
CID 22497863
2-acetyloxyethyl(trimethyl)azanium;1H-indole
CID 174311440
1H-indol-3-yl 4-aminopentanoate
CID 57023329
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yloxy)ethyl-trimethylazanium?
The IUPAC name of 2-(1H-indol-3-yloxy)ethyl-trimethylazanium (CID 173099162) is 2-(1H-indol-3-yloxy)ethyl-trimethylazanium.
What is the SMILES notation for 2-(1H-indol-3-yloxy)ethyl-trimethylazanium?
The canonical SMILES for 2-(1H-indol-3-yloxy)ethyl-trimethylazanium is C[N+](C)(C)CCOc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yloxy)ethyl-trimethylazanium?
The InChIKey is UNCXVVWUUHRGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O/c1-15(2,3)8-9-16-13-10-14-12-7-5-4-6-11(12)13/h4-7,10,14H,8-9H2,1-3H3/q+1.
What are the key properties of 2-(1H-indol-3-yloxy)ethyl-trimethylazanium?
2-(1H-indol-3-yloxy)ethyl-trimethylazanium has a molecular weight of 219.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yloxy)ethyl-trimethylazanium is sourced from PubChem (CID 173099162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).