3-(2-ethoxyethyl)-5-methoxy-1H-indole

C13H17NO2 — CID 167475271

IUPAC3-(2-ethoxyethyl)-5-methoxy-1H-indole
SMILESCCOCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H17NO2/c1-3-16-7-6-10-9-14-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyIMPSJKMRAFSHSR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.76
Rot. Bonds5

About 3-(2-ethoxyethyl)-5-methoxy-1H-indole

3-(2-ethoxyethyl)-5-methoxy-1H-indole (PubChem CID 167475271) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-methoxy-1H-indole
PubChem CID167475271
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2-ethoxyethyl)-5-methoxy-1H-indole
SMILESCCOCCc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H17NO2/c1-3-16-7-6-10-9-14-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3
InChIKeyIMPSJKMRAFSHSR-UHFFFAOYSA-N
XLogP2.76
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
5-methoxy-3-(3,3,3-trifluoropropyl)-1H-indole
CID 102104245
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
3-(2-cyclohexylethyl)-5-methoxy-1H-indole
CID 106985417
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
2-(5-methoxy-1H-indol-3-yl)ethyl-bis(prop-2-enyl)azanium
CID 86307010
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-5-methoxy-1H-indole?
The IUPAC name of 3-(2-ethoxyethyl)-5-methoxy-1H-indole (CID 167475271) is 3-(2-ethoxyethyl)-5-methoxy-1H-indole.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-methoxy-1H-indole?
The canonical SMILES for 3-(2-ethoxyethyl)-5-methoxy-1H-indole is CCOCCc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 3-(2-ethoxyethyl)-5-methoxy-1H-indole?
The InChIKey is IMPSJKMRAFSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-16-7-6-10-9-14-13-5-4-11(15-2)8-12(10)13/h4-5,8-9,14H,3,6-7H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-5-methoxy-1H-indole?
3-(2-ethoxyethyl)-5-methoxy-1H-indole has a molecular weight of 219.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-methoxy-1H-indole is sourced from PubChem (CID 167475271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).