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1060804-60-5 molecular structure
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methyl[(5-phenoxypyridin-3-yl)methyl]amine

ChemBase ID: 815051
Molecular Formular: C13H14N2O
Molecular Mass: 214.26306
Monoisotopic Mass: 214.11061308
SMILES and InChIs

SMILES:
C(NC)c1cncc(c1)Oc1ccccc1
Canonical SMILES:
CNCc1cncc(c1)Oc1ccccc1
InChI:
InChI=1S/C13H14N2O/c1-14-8-11-7-13(10-15-9-11)16-12-5-3-2-4-6-12/h2-7,9-10,14H,8H2,1H3
InChIKey:
PKSOVCSVFDCESV-UHFFFAOYSA-N

Cite this record

CBID:815051 http://www.chembase.cn/molecule-815051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(5-phenoxypyridin-3-yl)methyl]amine
IUPAC Traditional name
methyl[(5-phenoxypyridin-3-yl)methyl]amine
Synonyms
N-methyl-1-(5-phenoxypyridin-3-yl)methanamine
CAS Number
1060804-60-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37303 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37303 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.2545172  LogD (pH = 7.4) 0.16593345 
Log P 1.8142095  Molar Refractivity 63.3899 cm3
Polarizability 24.982073 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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