Home > Compound List > Compound details
121020-62-0 molecular structure
click picture or here to close

[(4-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine

ChemBase ID: 13238
Molecular Formular: C14H16N2O
Molecular Mass: 228.28964
Monoisotopic Mass: 228.12626314
SMILES and InChIs

SMILES:
c1c(ccc(c1)CNCc1ncccc1)OC
Canonical SMILES:
COc1ccc(cc1)CNCc1ccccn1
InChI:
InChI=1S/C14H16N2O/c1-17-14-7-5-12(6-8-14)10-15-11-13-4-2-3-9-16-13/h2-9,15H,10-11H2,1H3
InChIKey:
XSWSTFNTFFKSLS-UHFFFAOYSA-N

Cite this record

CBID:13238 http://www.chembase.cn/molecule-13238.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine
IUPAC Traditional name
[(4-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine
Synonyms
(4-Methoxy-benzyl)-pyridin-2-ylmethyl-amine
(4-methoxybenzyl)(pyridin-2-ylmethyl)amine
CAS Number
121020-62-0
MDL Number
MFCD01135702
PubChem SID
160976545
PubChem CID
872052

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 872052 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.315038  LogD (pH = 7.4) 1.3991419 
Log P 1.962196  Molar Refractivity 67.7027 cm3
Polarizability 26.765974 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle