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361394-74-3 molecular structure
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methyl[(2-phenoxyphenyl)methyl]amine

ChemBase ID: 78588
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
O(c1ccccc1CNC)c1ccccc1
Canonical SMILES:
CNCc1ccccc1Oc1ccccc1
InChI:
InChI=1S/C14H15NO/c1-15-11-12-7-5-6-10-14(12)16-13-8-3-2-4-9-13/h2-10,15H,11H2,1H3
InChIKey:
IMIUMEQDSKHKST-UHFFFAOYSA-N

Cite this record

CBID:78588 http://www.chembase.cn/molecule-78588.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(2-phenoxyphenyl)methyl]amine
IUPAC Traditional name
methyl[(2-phenoxyphenyl)methyl]amine
Synonyms
N-methyl-N-(2-phenoxybenzyl)amine
N-Methyl-N-(2-phenoxy)benzylamine 97+%
CAS Number
361394-74-3
MDL Number
MFCD02089412
PubChem SID
162043351
PubChem CID
23512750

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23512750 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.082659274  LogD (pH = 7.4) 1.2321827 
Log P 3.0318818  Molar Refractivity 65.5468 cm3
Polarizability 25.914927 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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