5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole

C13H19NO — CID 21328336

IUPAC5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
SMILESCCOc1ccc2c(c1)C(C)(C)C(C)N2
InChIInChI=1S/C13H19NO/c1-5-15-10-6-7-12-11(8-10)13(3,4)9(2)14-12/h6-9,14H,5H2,1-4H3
InChIKeyAOKXOWNLHFVOSP-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.18
Rot. Bonds2

About 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole

5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole (PubChem CID 21328336) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole.

Molecular Properties

Compound Name5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
PubChem CID21328336
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole
SMILESCCOc1ccc2c(c1)C(C)(C)C(C)N2
InChIInChI=1S/C13H19NO/c1-5-15-10-6-7-12-11(8-10)13(3,4)9(2)14-12/h6-9,14H,5H2,1-4H3
InChIKeyAOKXOWNLHFVOSP-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.18
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

5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
2,3,3-trimethyl-1,2-dihydroindole
CID 10942760
5-ethoxy-2-hydroxy-1,1,3,3-tetramethylisoindole
CID 70672105
6-ethoxy-3,3,4-trimethyl-1,2-dihydroquinoxaline
CID 176936552
6-ethoxy-2,2,4-trimethyl-1H-quinoline;oxoiron
CID 67924358
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
[(1S,3S)-3-(4-ethoxy-2-methylphenyl)-2,2-dimethylcyclopropyl]methanamine
CID 178197114
ethyl 7-ethoxy-3-methyl-4H-1,4-benzothiazine-2-carboxylate
CID 15497235
5-ethoxy-2-(2-methylphenyl)-2,3-dihydro-1H-indole
CID 4656228
2,6-diethoxyanthracene
CID 12651989
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
CID 82276688
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole?
The IUPAC name of 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole (CID 21328336) is 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole.
What is the SMILES notation for 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole?
The canonical SMILES for 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole is CCOc1ccc2c(c1)C(C)(C)C(C)N2.
What is the InChIKey of 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole?
The InChIKey is AOKXOWNLHFVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-15-10-6-7-12-11(8-10)13(3,4)9(2)14-12/h6-9,14H,5H2,1-4H3.
What are the key properties of 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole?
5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole has a molecular weight of 205.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3,3-trimethyl-1,2-dihydroindole is sourced from PubChem (CID 21328336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).