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52372-95-9 molecular structure
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5-methoxy-2,3-dihydro-1H-inden-1-amine

ChemBase ID: 795745
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
C1C(c2ccc(cc2C1)OC)N
Canonical SMILES:
COc1ccc2c(c1)CCC2N
InChI:
InChI=1S/C10H13NO/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6,10H,2,5,11H2,1H3
InChIKey:
BIYHMCGHGLLTIN-UHFFFAOYSA-N

Cite this record

CBID:795745 http://www.chembase.cn/molecule-795745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxy-2,3-dihydro-1H-inden-1-amine
IUPAC Traditional name
5-methoxy-2,3-dihydro-1H-inden-1-amine
Synonyms
5-Methoxy-2,3-dihydro-1H-inden-1-aMine
CAS Number
52372-95-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O383 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O383 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) -1.521634  LogD (pH = 7.4) -0.7794609 
Log P 1.4855672  Molar Refractivity 48.5754 cm3
Polarizability 19.094406 Å3 Polar Surface Area 35.25 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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