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52373-02-1 molecular structure
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6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

ChemBase ID: 255535
Molecular Formular: C11H15NO
Molecular Mass: 177.2429
Monoisotopic Mass: 177.11536411
SMILES and InChIs

SMILES:
c12c(cc(cc1)OC)CCCC2N
Canonical SMILES:
COc1ccc2c(c1)CCCC2N
InChI:
InChI=1S/C11H15NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7,11H,2-4,12H2,1H3
InChIKey:
NWDPZDVSZWOAFS-UHFFFAOYSA-N

Cite this record

CBID:255535 http://www.chembase.cn/molecule-255535.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-1-amine
IUPAC Traditional name
6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Synonyms
(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amine
6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CAS Number
52373-02-1
MDL Number
MFCD07778594
PubChem SID
164311445
PubChem CID
38250

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 38250 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0776603  LogD (pH = 7.4) -0.34345183 
Log P 1.9301358  Molar Refractivity 53.1764 cm3
Polarizability 20.93997 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.986 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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