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105901-39-1 molecular structure
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2-(4-methoxyphenoxy)aniline

ChemBase ID: 19542
Molecular Formular: C13H13NO2
Molecular Mass: 215.24782
Monoisotopic Mass: 215.09462866
SMILES and InChIs

SMILES:
c1(Oc2ccc(cc2)OC)c(N)cccc1
Canonical SMILES:
COc1ccc(cc1)Oc1ccccc1N
InChI:
InChI=1S/C13H13NO2/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
InChIKey:
YNMZTLWFOGGZEV-UHFFFAOYSA-N

Cite this record

CBID:19542 http://www.chembase.cn/molecule-19542.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenoxy)aniline
IUPAC Traditional name
2-(4-methoxyphenoxy)aniline
Synonyms
2-(4-Methoxyphenoxy)aniline
CAS Number
105901-39-1
MDL Number
MFCD04970991
PubChem SID
160982849
PubChem CID
361286

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 361286 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4855087  LogD (pH = 7.4) 2.4869177 
Log P 2.4869359  Molar Refractivity 63.4624 cm3
Polarizability 24.317492 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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