Home > Compound List > Compound details
884497-45-4 molecular structure
click picture or here to close

[(4-fluorophenyl)methyl](3-methoxypropyl)amine

ChemBase ID: 306817
Molecular Formular: C11H16FNO
Molecular Mass: 197.2492432
Monoisotopic Mass: 197.12159236
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CNCCCOC
Canonical SMILES:
COCCCNCc1ccc(cc1)F
InChI:
InChI=1S/C11H16FNO/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
InChIKey:
STRYNRNYZSHRED-UHFFFAOYSA-N

Cite this record

CBID:306817 http://www.chembase.cn/molecule-306817.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)methyl](3-methoxypropyl)amine
IUPAC Traditional name
[(4-fluorophenyl)methyl](3-methoxypropyl)amine
Synonyms
(4-fluorobenzyl)(3-methoxypropyl)amine
CAS Number
884497-45-4
MDL Number
MFCD05863677

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4004528 external link Add to cart
Data Source Data ID Price
ChemBridge
4004528 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) -1.4887977  LogD (pH = 7.4) -0.41080278 
Log P 1.6872808  Molar Refractivity 55.4313 cm3
Polarizability 21.40113 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