1-benzyl-6-ethoxy-3-methylindole

C18H19NO — CID 15128551

IUPAC1-benzyl-6-ethoxy-3-methylindole
SMILESCCOc1ccc2c(C)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C18H19NO/c1-3-20-16-9-10-17-14(2)12-19(18(17)11-16)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyDILKPFRFFAFWMA-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.40
Rot. Bonds4

About 1-benzyl-6-ethoxy-3-methylindole

1-benzyl-6-ethoxy-3-methylindole (PubChem CID 15128551) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-benzyl-6-ethoxy-3-methylindole.

Molecular Properties

Compound Name1-benzyl-6-ethoxy-3-methylindole
PubChem CID15128551
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-benzyl-6-ethoxy-3-methylindole
SMILESCCOc1ccc2c(C)cn(Cc3ccccc3)c2c1
InChIInChI=1S/C18H19NO/c1-3-20-16-9-10-17-14(2)12-19(18(17)11-16)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyDILKPFRFFAFWMA-UHFFFAOYSA-N
XLogP4.40
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-6-ethoxy-3-methylindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-methylindole;ethane
CID 145343697
5-benzyl-8-ethoxy-3-phenylpyrazolo[4,3-c]quinoline
CID 2135238
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carbaldehyde
CID 91174729
1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-methylindole
CID 59014808
1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
ethyl 4-[3-(2-amino-2-oxoethyl)-1-benzylindol-5-yl]oxybutanoate
CID 10548672
5-benzyl-3-(4-ethoxyphenyl)-8-methoxypyrazolo[4,3-c]quinoline
CID 2135826
5-benzyl-7-methoxy-3-(4-methylphenyl)pyrazolo[4,3-c]quinoline
CID 53245544
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-ethoxy-3-methylindole?
The IUPAC name of 1-benzyl-6-ethoxy-3-methylindole (CID 15128551) is 1-benzyl-6-ethoxy-3-methylindole.
What is the SMILES notation for 1-benzyl-6-ethoxy-3-methylindole?
The canonical SMILES for 1-benzyl-6-ethoxy-3-methylindole is CCOc1ccc2c(C)cn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-ethoxy-3-methylindole?
The InChIKey is DILKPFRFFAFWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-20-16-9-10-17-14(2)12-19(18(17)11-16)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-benzyl-6-ethoxy-3-methylindole?
1-benzyl-6-ethoxy-3-methylindole has a molecular weight of 265.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-ethoxy-3-methylindole is sourced from PubChem (CID 15128551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).