1-tert-butyl-5-ethyl-2,3-dihydroindole

C14H21N — CID 170202737

IUPAC1-tert-butyl-5-ethyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)CCN2C(C)(C)C
InChIInChI=1S/C14H21N/c1-5-11-6-7-13-12(10-11)8-9-15(13)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyYNQDVBHETMBGQE-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.41
Rot. Bonds1

About 1-tert-butyl-5-ethyl-2,3-dihydroindole

1-tert-butyl-5-ethyl-2,3-dihydroindole (PubChem CID 170202737) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-2,3-dihydroindole
PubChem CID170202737
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-tert-butyl-5-ethyl-2,3-dihydroindole
SMILESCCc1ccc2c(c1)CCN2C(C)(C)C
InChIInChI=1S/C14H21N/c1-5-11-6-7-13-12(10-11)8-9-15(13)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3
InChIKeyYNQDVBHETMBGQE-UHFFFAOYSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dicarbine
CID 65684
Indoline
CID 10328
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
CID 23305
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
N,N-diethyl-p-toluidine
CID 69177
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
N,N,2,4,6-Pentamethylbenzenamine
CID 139365

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-2,3-dihydroindole?
The IUPAC name of 1-tert-butyl-5-ethyl-2,3-dihydroindole (CID 170202737) is 1-tert-butyl-5-ethyl-2,3-dihydroindole.
What is the SMILES notation for 1-tert-butyl-5-ethyl-2,3-dihydroindole?
The canonical SMILES for 1-tert-butyl-5-ethyl-2,3-dihydroindole is CCc1ccc2c(c1)CCN2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-ethyl-2,3-dihydroindole?
The InChIKey is YNQDVBHETMBGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-11-6-7-13-12(10-11)8-9-15(13)14(2,3)4/h6-7,10H,5,8-9H2,1-4H3.
What are the key properties of 1-tert-butyl-5-ethyl-2,3-dihydroindole?
1-tert-butyl-5-ethyl-2,3-dihydroindole has a molecular weight of 203.33 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethyl-2,3-dihydroindole is sourced from PubChem (CID 170202737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).