5-ethoxy-2-methyl-2,3-dihydro-1H-indole

C11H15NO — CID 21441430

IUPAC5-ethoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(C)N2
InChIInChI=1S/C11H15NO/c1-3-13-10-4-5-11-9(7-10)6-8(2)12-11/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyIGJYLTQZHVZPFR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.44
Rot. Bonds2

About 5-ethoxy-2-methyl-2,3-dihydro-1H-indole

5-ethoxy-2-methyl-2,3-dihydro-1H-indole (PubChem CID 21441430) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethoxy-2-methyl-2,3-dihydro-1H-indole
PubChem CID21441430
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5-ethoxy-2-methyl-2,3-dihydro-1H-indole
SMILESCCOc1ccc2c(c1)CC(C)N2
InChIInChI=1S/C11H15NO/c1-3-13-10-4-5-11-9(7-10)6-8(2)12-11/h4-5,7-8,12H,3,6H2,1-2H3
InChIKeyIGJYLTQZHVZPFR-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethyl)-6-ethoxy-1,2,3,4-tetrahydroquinolin-3-ol
CID 164664284
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
2-(2,5-dimethylthiophen-3-yl)-5-ethoxy-2,3-dihydro-1H-indole
CID 4657849
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
ethyl 5-butoxy-2,3-dihydro-1H-indole-2-carboxylate
CID 66821777
2-(4-ethoxyphenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 4657850
6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
CID 21328336
(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole
CID 20813927

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethoxy-2-methyl-2,3-dihydro-1H-indole (CID 21441430) is 5-ethoxy-2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethoxy-2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethoxy-2-methyl-2,3-dihydro-1H-indole is CCOc1ccc2c(c1)CC(C)N2.
What is the InChIKey of 5-ethoxy-2-methyl-2,3-dihydro-1H-indole?
The InChIKey is IGJYLTQZHVZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-13-10-4-5-11-9(7-10)6-8(2)12-11/h4-5,7-8,12H,3,6H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-2,3-dihydro-1H-indole?
5-ethoxy-2-methyl-2,3-dihydro-1H-indole has a molecular weight of 177.25 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 21441430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).