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103791-15-7 molecular structure
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(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

ChemBase ID: 811268
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
c1(cc2c(cc1)CCC[C@H]2N)OC
Canonical SMILES:
COc1ccc2c(c1)[C@H](N)CCC2
InChI:
InChI=1S/C11H15NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11H,2-4,12H2,1H3/t11-/m1/s1
InChIKey:
XVZQKVKVDOXQJG-LLVKDONJSA-N

Cite this record

CBID:811268 http://www.chembase.cn/molecule-811268.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
IUPAC Traditional name
(1R)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Synonyms
(1R)-7-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-AMINE
CAS Number
103791-15-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30452 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30452 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) -1.0731505  LogD (pH = 7.4) -0.28220484 
Log P 1.9301358  Molar Refractivity 53.1764 cm3
Polarizability 20.939323 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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