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MFCD08056294 molecular structure
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methyl[(2-methyl-1H-indol-3-yl)methyl]amine

ChemBase ID: 90847
Molecular Formular: C11H14N2
Molecular Mass: 174.24226
Monoisotopic Mass: 174.11569846
SMILES and InChIs

SMILES:
[nH]1c2c(cccc2)c(c1C)CNC
Canonical SMILES:
CNCc1c(C)[nH]c2c1cccc2
InChI:
InChI=1S/C11H14N2/c1-8-10(7-12-2)9-5-3-4-6-11(9)13-8/h3-6,12-13H,7H2,1-2H3
InChIKey:
QSEWWKLGOWVVGC-UHFFFAOYSA-N

Cite this record

CBID:90847 http://www.chembase.cn/molecule-90847.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(2-methyl-1H-indol-3-yl)methyl]amine
IUPAC Traditional name
methyl[(2-methyl-1H-indol-3-yl)methyl]amine
Synonyms
N-Methyl-N-[(2-methyl-1H-indol-3-yl)methyl]amine 97%
MDL Number
MFCD08056294
PubChem SID
162077556
PubChem CID
10954023

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 10954023 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.186401  H Acceptors
H Donor LogD (pH = 5.5) -1.3816686 
LogD (pH = 7.4) -0.58295965  Log P 1.8299179 
Molar Refractivity 55.5422 cm3 Polarizability 22.615135 Å3
Polar Surface Area 27.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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