Home > Compound List > Compound details
343-93-1 molecular structure
click picture or here to close

[(6-fluoro-1H-indol-3-yl)methyl]dimethylamine

ChemBase ID: 100532
Molecular Formular: C11H13FN2
Molecular Mass: 192.2327232
Monoisotopic Mass: 192.10627665
SMILES and InChIs

SMILES:
[nH]1c2c(ccc(c2)F)c(c1)CN(C)C
Canonical SMILES:
CN(Cc1c[nH]c2c1ccc(c2)F)C
InChI:
InChI=1S/C11H13FN2/c1-14(2)7-8-6-13-11-5-9(12)3-4-10(8)11/h3-6,13H,7H2,1-2H3
InChIKey:
PAAOUYLDLVHKKR-UHFFFAOYSA-N

Cite this record

CBID:100532 http://www.chembase.cn/molecule-100532.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(6-fluoro-1H-indol-3-yl)methyl]dimethylamine
IUPAC Traditional name
[(6-fluoro-1H-indol-3-yl)methyl]dimethylamine
Synonyms
3-(Dimethylaminomethyl)-6-fluoro-1H-indole
6-Fluorogramine
1-(6-Fluoro-1H-indol-3-yl)-N,N-dimethylmethanamine
6-Fluoro-3-(dimethylaminomethyl)indole
6-Fluorogramine
CAS Number
343-93-1
MDL Number
MFCD00056918
PubChem SID
24894769
162086722
PubChem CID
2774471

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.559923  H Acceptors
H Donor LogD (pH = 5.5) -1.1465696 
LogD (pH = 7.4) 0.32157218  Log P 2.1561065 
Molar Refractivity 55.9036 cm3 Polarizability 22.239386 Å3
Polar Surface Area 19.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C11H13FN2 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