Home > Compound List > Compound details
355817-00-4 molecular structure
click picture or here to close

[(2-fluorophenyl)methyl](1-methoxypropan-2-yl)amine

ChemBase ID: 311074
Molecular Formular: C11H16FNO
Molecular Mass: 197.2492432
Monoisotopic Mass: 197.12159236
SMILES and InChIs

SMILES:
c1(CNC(COC)C)c(F)cccc1
Canonical SMILES:
COCC(NCc1ccccc1F)C
InChI:
InChI=1S/C11H16FNO/c1-9(8-14-2)13-7-10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKey:
NPLAJHVLMBGXAG-UHFFFAOYSA-N

Cite this record

CBID:311074 http://www.chembase.cn/molecule-311074.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-fluorophenyl)methyl](1-methoxypropan-2-yl)amine
IUPAC Traditional name
[(2-fluorophenyl)methyl](1-methoxypropan-2-yl)amine
Synonyms
(2-fluorobenzyl)(2-methoxy-1-methylethyl)amine
CAS Number
355817-00-4
MDL Number
MFCD01135023

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5572696 external link Add to cart
Data Source Data ID Price
ChemBridge
5572696 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) -0.7232578  LogD (pH = 7.4) 0.96540225 
Log P 2.0438962  Molar Refractivity 54.9847 cm3
Polarizability 21.400984 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