3,5-diethyl-3-methyl-1,2-dihydroindole

C13H19N — CID 165441920

IUPAC3,5-diethyl-3-methyl-1,2-dihydroindole
SMILESCCc1ccc2c(c1)C(C)(CC)CN2
InChIInChI=1S/C13H19N/c1-4-10-6-7-12-11(8-10)13(3,5-2)9-14-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeyQWEFJXHIGFHADR-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.34
Rot. Bonds2

About 3,5-diethyl-3-methyl-1,2-dihydroindole

3,5-diethyl-3-methyl-1,2-dihydroindole (PubChem CID 165441920) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3,5-diethyl-3-methyl-1,2-dihydroindole.

Molecular Properties

Compound Name3,5-diethyl-3-methyl-1,2-dihydroindole
PubChem CID165441920
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3,5-diethyl-3-methyl-1,2-dihydroindole
SMILESCCc1ccc2c(c1)C(C)(CC)CN2
InChIInChI=1S/C13H19N/c1-4-10-6-7-12-11(8-10)13(3,5-2)9-14-12/h6-8,14H,4-5,9H2,1-3H3
InChIKeyQWEFJXHIGFHADR-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-ethyl-3-methyl-1,2-dihydroindol-5-amine
CID 125453278
7-ethyl-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 82125519
5-ethyl-5'-naphthalen-1-ylspiro[1,2-dihydroindole-3,2'-3H-1,3,4-thiadiazole]
CID 90046195
7-ethyl-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 90392310
5-ethylspiro[1H-indole-3,1'-cyclobutane]-2-one
CID 84619753
(4S)-6-ethyl-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
CID 7823786
6-ethyl-2,2,4-trimethyl-1,3-dihydroquinoxaline
CID 84620438
5-(2-methoxy-2-phenylethyl)-3,3-dimethyl-1,2-dihydroindole
CID 70602445
(3R)-3-ethyl-3-methyl-1,2-dihydroindol-7-amine
CID 125451382
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
CID 166138523
(5-bromo-3-methyl-1,2-dihydroindol-3-yl)methyl acetate
CID 90124476

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-3-methyl-1,2-dihydroindole?
The IUPAC name of 3,5-diethyl-3-methyl-1,2-dihydroindole (CID 165441920) is 3,5-diethyl-3-methyl-1,2-dihydroindole.
What is the SMILES notation for 3,5-diethyl-3-methyl-1,2-dihydroindole?
The canonical SMILES for 3,5-diethyl-3-methyl-1,2-dihydroindole is CCc1ccc2c(c1)C(C)(CC)CN2.
What is the InChIKey of 3,5-diethyl-3-methyl-1,2-dihydroindole?
The InChIKey is QWEFJXHIGFHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10-6-7-12-11(8-10)13(3,5-2)9-14-12/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 3,5-diethyl-3-methyl-1,2-dihydroindole?
3,5-diethyl-3-methyl-1,2-dihydroindole has a molecular weight of 189.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-3-methyl-1,2-dihydroindole is sourced from PubChem (CID 165441920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).