2-ethyl-6-methoxy-5-methyl-1H-indole

C12H15NO — CID 130063718

IUPAC2-ethyl-6-methoxy-5-methyl-1H-indole
SMILESCCc1cc2cc(C)c(OC)cc2[nH]1
InChIInChI=1S/C12H15NO/c1-4-10-6-9-5-8(2)12(14-3)7-11(9)13-10/h5-7,13H,4H2,1-3H3
InChIKeyAOFRVSDRUYYJLC-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.05
Rot. Bonds2

About 2-ethyl-6-methoxy-5-methyl-1H-indole

2-ethyl-6-methoxy-5-methyl-1H-indole (PubChem CID 130063718) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-5-methyl-1H-indole.

Molecular Properties

Compound Name2-ethyl-6-methoxy-5-methyl-1H-indole
PubChem CID130063718
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-ethyl-6-methoxy-5-methyl-1H-indole
SMILESCCc1cc2cc(C)c(OC)cc2[nH]1
InChIInChI=1S/C12H15NO/c1-4-10-6-9-5-8(2)12(14-3)7-11(9)13-10/h5-7,13H,4H2,1-3H3
InChIKeyAOFRVSDRUYYJLC-UHFFFAOYSA-N
XLogP3.05
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
5-methoxy-6-methyl-1H-indole-2-carbaldehyde
CID 82404708
2-ethyl-5-propyl-1H-indole
CID 86257176
7-chloro-2-ethyl-6-methoxy-1H-indole
CID 130063787
6-methoxy-5-methyl-2-pyridin-3-yl-1H-indole
CID 69096952
2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane
CID 171834127
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
5-methoxy-2,3,6-trimethyl-1H-indole
CID 70181288
2-(6-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanamine
CID 105472777

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-5-methyl-1H-indole?
The IUPAC name of 2-ethyl-6-methoxy-5-methyl-1H-indole (CID 130063718) is 2-ethyl-6-methoxy-5-methyl-1H-indole.
What is the SMILES notation for 2-ethyl-6-methoxy-5-methyl-1H-indole?
The canonical SMILES for 2-ethyl-6-methoxy-5-methyl-1H-indole is CCc1cc2cc(C)c(OC)cc2[nH]1.
What is the InChIKey of 2-ethyl-6-methoxy-5-methyl-1H-indole?
The InChIKey is AOFRVSDRUYYJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-10-6-9-5-8(2)12(14-3)7-11(9)13-10/h5-7,13H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-methoxy-5-methyl-1H-indole?
2-ethyl-6-methoxy-5-methyl-1H-indole has a molecular weight of 189.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-5-methyl-1H-indole is sourced from PubChem (CID 130063718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).