Home > Compound List > Compound details
MFCD06800748 molecular structure
click picture or here to close

[(3-fluoro-4-methylphenyl)methyl](pyridin-3-ylmethyl)amine

ChemBase ID: 15659
Molecular Formular: C14H15FN2
Molecular Mass: 230.2807032
Monoisotopic Mass: 230.12192671
SMILES and InChIs

SMILES:
c1(ccc(cc1F)CNCc1cccnc1)C
Canonical SMILES:
Cc1ccc(cc1F)CNCc1cccnc1
InChI:
InChI=1S/C14H15FN2/c1-11-4-5-12(7-14(11)15)8-17-10-13-3-2-6-16-9-13/h2-7,9,17H,8,10H2,1H3
InChIKey:
VLNFXRXNQFTQKB-UHFFFAOYSA-N

Cite this record

CBID:15659 http://www.chembase.cn/molecule-15659.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-fluoro-4-methylphenyl)methyl](pyridin-3-ylmethyl)amine
IUPAC Traditional name
[(3-fluoro-4-methylphenyl)methyl](pyridin-3-ylmethyl)amine
Synonyms
(3-Fluoro-4-methylbenzyl)(pyridin-3-ylmethyl)amine
MDL Number
MFCD06800748
PubChem SID
160978966
PubChem CID
23004712

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
016254 external link Add to cart Please log in.
Data Source Data ID
PubChem 23004712 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.10104533  LogD (pH = 7.4) 1.578323 
Log P 2.6945186  Molar Refractivity 67.0193 cm3
Polarizability 25.641624 Å3 Polar Surface Area 24.92 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