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121216-43-1 molecular structure
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(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

ChemBase ID: 798097
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
C1[C@@H](CCc2ccc(cc12)OC)N
Canonical SMILES:
COc1ccc2c(c1)C[C@@H](CC2)N
InChI:
InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3/t10-/m1/s1
InChIKey:
ZNWNWWLWFCCREO-SNVBAGLBSA-N

Cite this record

CBID:798097 http://www.chembase.cn/molecule-798097.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC Traditional name
(2R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms
(r)-2-amino-7-methoxytetralin
CAS Number
121216-43-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10370 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10370 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) -1.2445631  LogD (pH = 7.4) -0.69571847 
Log P 1.7742285  Molar Refractivity 53.3304 cm3
Polarizability 20.863153 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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