5-bromo-1-methoxy-3-methyl-2,3-dihydroindole

C10H12BrNO — CID 142041886

IUPAC5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
SMILESCON1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyRMLQVEPSNHOAER-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole

5-bromo-1-methoxy-3-methyl-2,3-dihydroindole (PubChem CID 142041886) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
PubChem CID142041886
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-1-methoxy-3-methyl-2,3-dihydroindole
SMILESCON1CC(C)c2cc(Br)ccc21
InChIInChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyRMLQVEPSNHOAER-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-methyl-1-propyl-2,3-dihydroindole
CID 83960311
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277266
(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
tert-butyl (4R)-6-bromo-4-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 86337029
5,6-difluoro-1,3-dimethyl-2,3-dihydroindole
CID 58386577
1-(4-bromo-2-fluorophenyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777988
5,6-difluoro-1,3-dimethyl-2,3-dihydroindole;ethane
CID 143808256
methyl 5-bromo-1-methyl-2-oxo-3H-indole-3-carboxylate
CID 158369582
(3S)-5-bromo-1-(2-methylpropyl)-2,3-dihydroindol-3-amine
CID 51601161
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 82623345
5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114592015
1-(5-bromo-1-ethyl-2,3-dihydroindol-3-yl)ethanamine
CID 117202243

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole (CID 142041886) is 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole is CON1CC(C)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
The InChIKey is RMLQVEPSNHOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-7-6-12(13-2)10-4-3-8(11)5-9(7)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole?
5-bromo-1-methoxy-3-methyl-2,3-dihydroindole has a molecular weight of 242.12 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methoxy-3-methyl-2,3-dihydroindole is sourced from PubChem (CID 142041886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).