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383145-87-7 molecular structure
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2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethan-1-amine

ChemBase ID: 310394
Molecular Formular: C11H12F2N2
Molecular Mass: 210.2231864
Monoisotopic Mass: 210.09685483
SMILES and InChIs

SMILES:
[nH]1c2c(c(c1C)CCN)cc(cc2F)F
Canonical SMILES:
NCCc1c(C)[nH]c2c1cc(F)cc2F
InChI:
InChI=1S/C11H12F2N2/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5,15H,2-3,14H2,1H3
InChIKey:
ONMAUYDDKOPKPN-UHFFFAOYSA-N

Cite this record

CBID:310394 http://www.chembase.cn/molecule-310394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethan-1-amine
IUPAC Traditional name
2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethanamine
Synonyms
2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethanamine
CAS Number
383145-87-7
MDL Number
MFCD02656485

DATA SOURCES

DATA SOURCES

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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0370336  LogD (pH = 7.4) -0.31157434 
Log P 1.9714026  Molar Refractivity 55.9554 cm3
Polarizability 21.736362 Å3 Polar Surface Area 41.81 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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