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14064-97-2 molecular structure
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4-methoxy-3-(4-methoxyphenoxy)aniline

ChemBase ID: 253215
Molecular Formular: C14H15NO3
Molecular Mass: 245.2738
Monoisotopic Mass: 245.10519335
SMILES and InChIs

SMILES:
c1(cc(N)ccc1OC)Oc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)Oc1cc(N)ccc1OC
InChI:
InChI=1S/C14H15NO3/c1-16-11-4-6-12(7-5-11)18-14-9-10(15)3-8-13(14)17-2/h3-9H,15H2,1-2H3
InChIKey:
KSAGNEDDVQISQY-UHFFFAOYSA-N

Cite this record

CBID:253215 http://www.chembase.cn/molecule-253215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-3-(4-methoxyphenoxy)aniline
IUPAC Traditional name
4-methoxy-3-(4-methoxyphenoxy)aniline
Synonyms
4-methoxy-3-(4-methoxyphenoxy)aniline
CAS Number
14064-97-2
MDL Number
MFCD08729261
PubChem SID
164309125
PubChem CID
16227698

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-26714 external link Add to cart Please log in.
Data Source Data ID
PubChem 16227698 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2983136  LogD (pH = 7.4) 2.3288608 
Log P 2.3292644  Molar Refractivity 69.9256 cm3
Polarizability 26.82853 Å3 Polar Surface Area 53.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.671 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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