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81861-30-5 molecular structure
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6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

ChemBase ID: 811986
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
NC1CCc2c(ccc(c2)OC)C1
Canonical SMILES:
COc1ccc2c(c1)CCC(C2)N
InChI:
InChI=1S/C11H15NO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
InChIKey:
WASIYUSITZITPW-UHFFFAOYSA-N

Cite this record

CBID:811986 http://www.chembase.cn/molecule-811986.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC Traditional name
6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE
CAS Number
81861-30-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31657 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31657 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) -1.2461243  LogD (pH = 7.4) -0.73201406 
Log P 1.7742285  Molar Refractivity 53.3304 cm3
Polarizability 20.863173 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

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