Home > Compound List > Compound details
473732-54-6 molecular structure
click picture or here to close

1-[2-(trifluoromethyl)phenyl]propan-1-amine

ChemBase ID: 94904
Molecular Formular: C10H12F3N
Molecular Mass: 203.2041896
Monoisotopic Mass: 203.09218405
SMILES and InChIs

SMILES:
FC(c1c(cccc1)C(CC)N)(F)F
Canonical SMILES:
CCC(c1ccccc1C(F)(F)F)N
InChI:
InChI=1S/C10H12F3N/c1-2-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6,9H,2,14H2,1H3
InChIKey:
GGMBEWCATHOITK-UHFFFAOYSA-N

Cite this record

CBID:94904 http://www.chembase.cn/molecule-94904.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(trifluoromethyl)phenyl]propan-1-amine
IUPAC Traditional name
1-[2-(trifluoromethyl)phenyl]propan-1-amine
Synonyms
(RS)-alpha-Methyl-2-(trifluoromethyl)benzylamine
(RS)-1-[2-(Trifluoromethyl)phenyl]propylamine 98%
CAS Number
473732-54-6
MDL Number
MFCD07784288
PubChem SID
162081558
PubChem CID
18439478

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC2542 external link Add to cart Please log in.
Data Source Data ID
PubChem 18439478 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.07392149  LogD (pH = 7.4) 0.84907866 
Log P 2.91596  Molar Refractivity 49.4479 cm3
Polarizability 18.406736 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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