Home > Compound List > Compound details
418782-68-0 molecular structure
click picture or here to close

[(4-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine

ChemBase ID: 310971
Molecular Formular: C16H18FNO
Molecular Mass: 259.3186232
Monoisotopic Mass: 259.13724242
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CNCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNCc1ccc(cc1)F
InChI:
InChI=1S/C16H18FNO/c1-19-16-8-4-13(5-9-16)10-11-18-12-14-2-6-15(17)7-3-14/h2-9,18H,10-12H2,1H3
InChIKey:
MYDCSSSAWBKWMO-UHFFFAOYSA-N

Cite this record

CBID:310971 http://www.chembase.cn/molecule-310971.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
IUPAC Traditional name
[(4-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
Synonyms
(4-fluorobenzyl)[2-(4-methoxyphenyl)ethyl]amine
CAS Number
418782-68-0
MDL Number
MFCD01135125

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5553981 external link Add to cart
Data Source Data ID Price
ChemBridge
5553981 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) 0.33603218  LogD (pH = 7.4) 1.3003109 
Log P 3.5297596  Molar Refractivity 75.3532 cm3
Polarizability 29.05986 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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