5-ethoxy-1-(3-methylbutyl)indole

C15H21NO — CID 110830943

IUPAC5-ethoxy-1-(3-methylbutyl)indole
SMILESCCOc1ccc2c(ccn2CCC(C)C)c1
InChIInChI=1S/C15H21NO/c1-4-17-14-5-6-15-13(11-14)8-10-16(15)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyJLXARUYWLOFFLF-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.09
Rot. Bonds5

About 5-ethoxy-1-(3-methylbutyl)indole

5-ethoxy-1-(3-methylbutyl)indole (PubChem CID 110830943) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-ethoxy-1-(3-methylbutyl)indole.

Molecular Properties

Compound Name5-ethoxy-1-(3-methylbutyl)indole
PubChem CID110830943
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-ethoxy-1-(3-methylbutyl)indole
SMILESCCOc1ccc2c(ccn2CCC(C)C)c1
InChIInChI=1S/C15H21NO/c1-4-17-14-5-6-15-13(11-14)8-10-16(15)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3
InChIKeyJLXARUYWLOFFLF-UHFFFAOYSA-N
XLogP4.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethoxyindol-1-yl)butan-2-ol
CID 116624097
N-[3-(5-ethoxyindol-1-yl)propyl]-2-methylpropan-1-amine
CID 80643034
4-(5-ethoxyindol-1-yl)butanenitrile
CID 110830965
3-(5-ethoxyindol-1-yl)propanal
CID 80643533
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
1-[3-(4-chlorophenoxy)propyl]-5-ethoxyindole
CID 110830948
1-(2-tert-butylsulfonylethyl)-5-ethoxyindole
CID 106731679
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
4-[3-(5-ethoxyindol-1-yl)propoxy]benzoic acid
CID 110830964
2-chloro-3-(5-ethoxyindol-1-yl)propanoic acid
CID 113398041
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(3-methylbutyl)indole?
The IUPAC name of 5-ethoxy-1-(3-methylbutyl)indole (CID 110830943) is 5-ethoxy-1-(3-methylbutyl)indole.
What is the SMILES notation for 5-ethoxy-1-(3-methylbutyl)indole?
The canonical SMILES for 5-ethoxy-1-(3-methylbutyl)indole is CCOc1ccc2c(ccn2CCC(C)C)c1.
What is the InChIKey of 5-ethoxy-1-(3-methylbutyl)indole?
The InChIKey is JLXARUYWLOFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-17-14-5-6-15-13(11-14)8-10-16(15)9-7-12(2)3/h5-6,8,10-12H,4,7,9H2,1-3H3.
What are the key properties of 5-ethoxy-1-(3-methylbutyl)indole?
5-ethoxy-1-(3-methylbutyl)indole has a molecular weight of 231.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(3-methylbutyl)indole is sourced from PubChem (CID 110830943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).