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371251-07-9 molecular structure
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6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 815646
Molecular Formular: C10H12BrN
Molecular Mass: 226.11298
Monoisotopic Mass: 225.01531139
SMILES and InChIs

SMILES:
C1C(c2cc(ccc2C1)Br)NC
Canonical SMILES:
CNC1CCc2c1cc(Br)cc2
InChI:
InChI=1S/C10H12BrN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
InChIKey:
VMOGBOBURVTQOJ-UHFFFAOYSA-N

Cite this record

CBID:815646 http://www.chembase.cn/molecule-815646.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine
Synonyms
6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine
CAS Number
371251-07-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38005 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38005 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.3494025  LogD (pH = 7.4) 0.61301434 
Log P 2.8445716  Molar Refractivity 54.5096 cm3
Polarizability 21.119457 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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