Home > Compound List > Compound details
355382-51-3 molecular structure
click picture or here to close

[(4-fluorophenyl)methyl][2-(3-methoxyphenyl)ethyl]amine

ChemBase ID: 310824
Molecular Formular: C16H18FNO
Molecular Mass: 259.3186232
Monoisotopic Mass: 259.13724242
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CNCCc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CCNCc1ccc(cc1)F
InChI:
InChI=1S/C16H18FNO/c1-19-16-4-2-3-13(11-16)9-10-18-12-14-5-7-15(17)8-6-14/h2-8,11,18H,9-10,12H2,1H3
InChIKey:
FOWWCIZNDIHWSF-UHFFFAOYSA-N

Cite this record

CBID:310824 http://www.chembase.cn/molecule-310824.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)methyl][2-(3-methoxyphenyl)ethyl]amine
IUPAC Traditional name
[(4-fluorophenyl)methyl][2-(3-methoxyphenyl)ethyl]amine
Synonyms
(4-fluorobenzyl)[2-(3-methoxyphenyl)ethyl]amine
CAS Number
355382-51-3
MDL Number
MFCD01135627

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5523518 external link Add to cart
Data Source Data ID Price
ChemBridge
5523518 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) 0.33963594  LogD (pH = 7.4) 1.3301319 
Log P 3.5297596  Molar Refractivity 75.3532 cm3
Polarizability 29.060503 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