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169943-40-2 molecular structure
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methyl[(4-phenoxyphenyl)methyl]amine

ChemBase ID: 92553
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
O(c1ccccc1)c1ccc(cc1)CNC
Canonical SMILES:
CNCc1ccc(cc1)Oc1ccccc1
InChI:
InChI=1S/C14H15NO/c1-15-11-12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey:
YWBKPTGYRUSBFV-UHFFFAOYSA-N

Cite this record

CBID:92553 http://www.chembase.cn/molecule-92553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(4-phenoxyphenyl)methyl]amine
IUPAC Traditional name
methyl[(4-phenoxyphenyl)methyl]amine
Synonyms
N-methyl-N-(4-phenoxybenzyl)amine
N-methyl-1-(4-phenoxyphenyl)methanamine
N-Methyl-1-(4-phenoxyphenyl)methylamine
N-Methyl-4-phenoxybenzylamine 97%
CAS Number
169943-40-2
MDL Number
MFCD02089415
PubChem SID
162079251
PubChem CID
10608640

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10608640 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1479182  LogD (pH = 7.4) 0.9088463 
Log P 3.0318818  Molar Refractivity 65.5468 cm3
Polarizability 25.914717 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
Toxic/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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