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162224417 molecular structure
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1-(6-bromo-2,3-dihydro-1H-indol-1-yl)propan-2-amine

ChemBase ID: 130133
Molecular Formular: C11H15BrN2
Molecular Mass: 255.1542
Monoisotopic Mass: 254.04186049
SMILES and InChIs

SMILES:
CC(N)CN1CCc2c1cc(cc2)Br
Canonical SMILES:
CC(CN1CCc2c1cc(Br)cc2)N
InChI:
InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKey:
QGRQJMXAQYGAKK-UHFFFAOYSA-N

Cite this record

CBID:130133 http://www.chembase.cn/molecule-130133.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-bromo-2,3-dihydro-1H-indol-1-yl)propan-2-amine
IUPAC Traditional name
1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
Synonyms
VER-3323
PubChem SID
162224417
PubChem CID
6604042
18735337
Wikipedia Title
VER-3323

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.50266117  LogD (pH = 7.4) 0.16737315 
Log P 2.509522  Molar Refractivity 63.7876 cm3
Polarizability 24.112398 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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