7-ethyl-1-(2-propoxyethyl)indole

C15H21NO — CID 106458036

IUPAC7-ethyl-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2cccc(CC)c21
InChIInChI=1S/C15H21NO/c1-3-11-17-12-10-16-9-8-14-7-5-6-13(4-2)15(14)16/h5-9H,3-4,10-12H2,1-2H3
InChIKeyKAISDYZOAPLNNC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.63
Rot. Bonds6

About 7-ethyl-1-(2-propoxyethyl)indole

7-ethyl-1-(2-propoxyethyl)indole (PubChem CID 106458036) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-ethyl-1-(2-propoxyethyl)indole.

Molecular Properties

Compound Name7-ethyl-1-(2-propoxyethyl)indole
PubChem CID106458036
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-ethyl-1-(2-propoxyethyl)indole
SMILESCCCOCCn1ccc2cccc(CC)c21
InChIInChI=1S/C15H21NO/c1-3-11-17-12-10-16-9-8-14-7-5-6-13(4-2)15(14)16/h5-9H,3-4,10-12H2,1-2H3
InChIKeyKAISDYZOAPLNNC-UHFFFAOYSA-N
XLogP3.63
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propoxyethyl)indol-7-amine
CID 106452734
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
ethyl 3-(7-ethylindol-1-yl)propanoate
CID 43365480
1-[2-(3-bromophenoxy)ethyl]-7-ethylindole
CID 116618781
7-ethyl-1-(2-piperidin-1-ylethyl)indole
CID 116618924
1-(2-tert-butylsulfonylethyl)-7-ethylindole
CID 106731619
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-(2-propoxyethyl)indole?
The IUPAC name of 7-ethyl-1-(2-propoxyethyl)indole (CID 106458036) is 7-ethyl-1-(2-propoxyethyl)indole.
What is the SMILES notation for 7-ethyl-1-(2-propoxyethyl)indole?
The canonical SMILES for 7-ethyl-1-(2-propoxyethyl)indole is CCCOCCn1ccc2cccc(CC)c21.
What is the InChIKey of 7-ethyl-1-(2-propoxyethyl)indole?
The InChIKey is KAISDYZOAPLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11-17-12-10-16-9-8-14-7-5-6-13(4-2)15(14)16/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of 7-ethyl-1-(2-propoxyethyl)indole?
7-ethyl-1-(2-propoxyethyl)indole has a molecular weight of 231.34 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-(2-propoxyethyl)indole is sourced from PubChem (CID 106458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).