3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole

C14H21NO — CID 106985791

IUPAC3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC(C)(C)C)CN2
InChIInChI=1S/C14H21NO/c1-14(2,3)8-10-9-15-13-6-5-11(16-4)7-12(10)13/h5-7,10,15H,8-9H2,1-4H3
InChIKeyLTFKCEQTBTUUHR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.64
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole

3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole (PubChem CID 106985791) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
PubChem CID106985791
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CC(C)(C)C)CN2
InChIInChI=1S/C14H21NO/c1-14(2,3)8-10-9-15-13-6-5-11(16-4)7-12(10)13/h5-7,10,15H,8-9H2,1-4H3
InChIKeyLTFKCEQTBTUUHR-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.64
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

(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
3-(1-adamantyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985853
3,7-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 106110899
[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 142653052

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole (CID 106985791) is 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole is COc1ccc2c(c1)C(CC(C)(C)C)CN2.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole?
The InChIKey is LTFKCEQTBTUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)8-10-9-15-13-6-5-11(16-4)7-12(10)13/h5-7,10,15H,8-9H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole?
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole has a molecular weight of 219.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).