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52537-88-9 molecular structure
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2-{[(4-methoxyphenyl)amino]methyl}phenol

ChemBase ID: 232465
Molecular Formular: C14H15NO2
Molecular Mass: 229.2744
Monoisotopic Mass: 229.11027873
SMILES and InChIs

SMILES:
c1(CNc2ccc(cc2)OC)c(O)cccc1
Canonical SMILES:
COc1ccc(cc1)NCc1ccccc1O
InChI:
InChI=1S/C14H15NO2/c1-17-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16/h2-9,15-16H,10H2,1H3
InChIKey:
HLFHQRSQVWQRJY-UHFFFAOYSA-N

Cite this record

CBID:232465 http://www.chembase.cn/molecule-232465.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(4-methoxyphenyl)amino]methyl}phenol
IUPAC Traditional name
2-{[(4-methoxyphenyl)amino]methyl}phenol
Synonyms
2-[(4-Methoxy-phenylamino)-methyl]-phenol
CAS Number
52537-88-9
MDL Number
MFCD00086691
PubChem SID
164288375
PubChem CID
269972

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-06747 external link Add to cart Please log in.
Data Source Data ID
PubChem 269972 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.230817  H Acceptors
H Donor LogD (pH = 5.5) 2.6187465 
LogD (pH = 7.4) 2.701657  Log P 2.7092605 
Molar Refractivity 69.3085 cm3 Polarizability 26.026283 Å3
Polar Surface Area 41.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.475 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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