4-ethoxy-1-(2-methylbutyl)indole

C15H21NO — CID 83173509

IUPAC4-ethoxy-1-(2-methylbutyl)indole
SMILESCCOc1cccc2c1ccn2CC(C)CC
InChIInChI=1S/C15H21NO/c1-4-12(3)11-16-10-9-13-14(16)7-6-8-15(13)17-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyJXUJZYNMUCLFEU-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.09
Rot. Bonds5

About 4-ethoxy-1-(2-methylbutyl)indole

4-ethoxy-1-(2-methylbutyl)indole (PubChem CID 83173509) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-ethoxy-1-(2-methylbutyl)indole.

Molecular Properties

Compound Name4-ethoxy-1-(2-methylbutyl)indole
PubChem CID83173509
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-ethoxy-1-(2-methylbutyl)indole
SMILESCCOc1cccc2c1ccn2CC(C)CC
InChIInChI=1S/C15H21NO/c1-4-12(3)11-16-10-9-13-14(16)7-6-8-15(13)17-5-2/h6-10,12H,4-5,11H2,1-3H3
InChIKeyJXUJZYNMUCLFEU-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

2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
N-[2-(4-ethoxyindol-1-yl)ethyl]pentan-3-amine
CID 83162426
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
3-(4-methoxyindol-1-yl)-2-methylpropan-1-amine
CID 83163240
1-(2-methylbutyl)indole-4-carbonitrile
CID 107919093
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
4-ethoxy-1-[(5-ethylthiophen-2-yl)methyl]indole
CID 83173603
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-methylbutyl)indole?
The IUPAC name of 4-ethoxy-1-(2-methylbutyl)indole (CID 83173509) is 4-ethoxy-1-(2-methylbutyl)indole.
What is the SMILES notation for 4-ethoxy-1-(2-methylbutyl)indole?
The canonical SMILES for 4-ethoxy-1-(2-methylbutyl)indole is CCOc1cccc2c1ccn2CC(C)CC.
What is the InChIKey of 4-ethoxy-1-(2-methylbutyl)indole?
The InChIKey is JXUJZYNMUCLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-12(3)11-16-10-9-13-14(16)7-6-8-15(13)17-5-2/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 4-ethoxy-1-(2-methylbutyl)indole?
4-ethoxy-1-(2-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 4-ethoxy-1-(2-methylbutyl)indole is sourced from PubChem (CID 83173509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).