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41568-27-8 molecular structure
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5-methoxy-2-methyl-2,3-dihydro-1H-indole

ChemBase ID: 173019
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
c1cc(cc2c1NC(C2)C)OC
Canonical SMILES:
COc1ccc2c(c1)CC(N2)C
InChI:
InChI=1S/C10H13NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-4,6-7,11H,5H2,1-2H3
InChIKey:
MKZAAOOSZBRZEP-UHFFFAOYSA-N

Cite this record

CBID:173019 http://www.chembase.cn/molecule-173019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-2-methyl-2,3-dihydro-1H-indole
IUPAC Traditional name
5-methoxy-2-methyl-2,3-dihydro-1H-indole
Synonyms
2-Methyl-5-methoxyindoline
2,3-Dihydro-5-methoxy-2-methyl-1H-indole
5-Methoxy-2-methylindoline
CAS Number
41568-27-8
PubChem SID
164228929
PubChem CID
10797090

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M264410 external link Add to cart
PubChem 10797090 external link
Data Source Data ID Price
TRC
M264410 external link Add to cart Please log in.
Data Source Data ID
PubChem 10797090 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.397311  LogD (pH = 7.4) 1.7381425 
Log P 1.7448162  Molar Refractivity 50.4434 cm3
Polarizability 18.702885 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Dimethyl Formamide expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Pale Brown Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M264410 external link
Used in the preparation of indole-3-acetamides, inhibitors of phospholipase A2.

REFERENCES

REFERENCES

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  • • Dillard, R. et al.; J. Med. Chem. 39, 5137 (1996)
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PATENTS

PATENTS

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INTERNET

INTERNET

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