2-ethyl-2,6-dimethyl-1,3-dihydroindole

C12H17N — CID 13401896

IUPAC2-ethyl-2,6-dimethyl-1,3-dihydroindole
SMILESCCC1(C)Cc2ccc(C)cc2N1
InChIInChI=1S/C12H17N/c1-4-12(3)8-10-6-5-9(2)7-11(10)13-12/h5-7,13H,4,8H2,1-3H3
InChIKeyNKVIOQODHFIILW-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.13
Rot. Bonds1

About 2-ethyl-2,6-dimethyl-1,3-dihydroindole

2-ethyl-2,6-dimethyl-1,3-dihydroindole (PubChem CID 13401896) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-ethyl-2,6-dimethyl-1,3-dihydroindole.

Molecular Properties

Compound Name2-ethyl-2,6-dimethyl-1,3-dihydroindole
PubChem CID13401896
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2-ethyl-2,6-dimethyl-1,3-dihydroindole
SMILESCCC1(C)Cc2ccc(C)cc2N1
InChIInChI=1S/C12H17N/c1-4-12(3)8-10-6-5-9(2)7-11(10)13-12/h5-7,13H,4,8H2,1-3H3
InChIKeyNKVIOQODHFIILW-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-dimethyl-1,3-dihydroindol-2-yl)methanol
CID 117193569
2-(methoxymethyl)-2,5-dimethyl-1,3-dihydroindole
CID 117193542
3,3-diethyl-7-methyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115431539
2-(methoxymethyl)-2,6-dimethyl-3,4-dihydro-1H-quinoline
CID 117193656
2-ethyl-7-fluoro-2-methyl-1,3-dihydroindole
CID 84718195
2-ethyl-4-fluoro-2-methyl-1,3-dihydroindole
CID 84718198
2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
CID 117193770
3,6,9,9-tetramethyl-10H-acridine
CID 155683472
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
CID 84723056
3,3,8-trimethyl-1,2,4,5-tetrahydro-1-benzazepine
CID 84719436
2-ethyl-2,3,4,7-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193884
2-methyl-2-prop-2-enyl-1,3-dihydroindole
CID 102526165

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,6-dimethyl-1,3-dihydroindole?
The IUPAC name of 2-ethyl-2,6-dimethyl-1,3-dihydroindole (CID 13401896) is 2-ethyl-2,6-dimethyl-1,3-dihydroindole.
What is the SMILES notation for 2-ethyl-2,6-dimethyl-1,3-dihydroindole?
The canonical SMILES for 2-ethyl-2,6-dimethyl-1,3-dihydroindole is CCC1(C)Cc2ccc(C)cc2N1.
What is the InChIKey of 2-ethyl-2,6-dimethyl-1,3-dihydroindole?
The InChIKey is NKVIOQODHFIILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-12(3)8-10-6-5-9(2)7-11(10)13-12/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-2,6-dimethyl-1,3-dihydroindole?
2-ethyl-2,6-dimethyl-1,3-dihydroindole has a molecular weight of 175.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,6-dimethyl-1,3-dihydroindole is sourced from PubChem (CID 13401896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).