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96331-95-2 molecular structure
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2-[2-(2-aminophenoxy)ethoxy]-4-methylaniline

ChemBase ID: 160378
Molecular Formular: C15H18N2O2
Molecular Mass: 258.31562
Monoisotopic Mass: 258.13682783
SMILES and InChIs

SMILES:
c1cc(cc(c1N)OCCOc1c(cccc1)N)C
Canonical SMILES:
Cc1ccc(c(c1)OCCOc1ccccc1N)N
InChI:
InChI=1S/C15H18N2O2/c1-11-6-7-13(17)15(10-11)19-9-8-18-14-5-3-2-4-12(14)16/h2-7,10H,8-9,16-17H2,1H3
InChIKey:
DNJQPJBLGFGESM-UHFFFAOYSA-N

Cite this record

CBID:160378 http://www.chembase.cn/molecule-160378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(2-aminophenoxy)ethoxy]-4-methylaniline
IUPAC Traditional name
2-[2-(2-aminophenoxy)ethoxy]-4-methylaniline
Synonyms
1-(2-Amino-5-methylphenoxy)-2-(2-aminophenoxy)ethane
2-[2-(2-Aminophenoxy)ethoxy]-4-methyl-benzenamine
CAS Number
96331-95-2
PubChem SID
162254513
PubChem CID
13685253

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A618925 external link Add to cart
PubChem 13685253 external link
Data Source Data ID Price
TRC
A618925 external link Add to cart Please log in.
Data Source Data ID
PubChem 13685253 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2286575  LogD (pH = 7.4) 2.3140206 
Log P 2.3151937  Molar Refractivity 77.5154 cm3
Polarizability 29.006567 Å3 Polar Surface Area 70.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Apperance
Redish Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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