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104566-43-0 molecular structure
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[3-(benzyloxy)phenyl]methanamine

ChemBase ID: 258807
Molecular Formular: C14H15NO
Molecular Mass: 213.275
Monoisotopic Mass: 213.11536411
SMILES and InChIs

SMILES:
O(c1cc(CN)ccc1)Cc1ccccc1
Canonical SMILES:
NCc1cccc(c1)OCc1ccccc1
InChI:
InChI=1S/C14H15NO/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-9H,10-11,15H2
InChIKey:
WAMBEHWAKBRTGT-UHFFFAOYSA-N

Cite this record

CBID:258807 http://www.chembase.cn/molecule-258807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(benzyloxy)phenyl]methanamine
IUPAC Traditional name
[3-(benzyloxy)phenyl]methanamine
Synonyms
[3-(benzyloxy)phenyl]methanamine
1-[3-(benzyloxy)phenyl]methanamine
CAS Number
104566-43-0
MDL Number
MFCD07786725
PubChem SID
164314717
PubChem CID
11009288

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11009288 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.31450847  LogD (pH = 7.4) 0.6808134 
Log P 2.665816  Molar Refractivity 65.6072 cm3
Polarizability 25.850647 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.781 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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