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465529-50-4 molecular structure
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3-[4-(trifluoromethoxy)phenyl]propan-1-amine

ChemBase ID: 808736
Molecular Formular: C10H12F3NO
Molecular Mass: 219.2035896
Monoisotopic Mass: 219.08709867
SMILES and InChIs

SMILES:
NCCCc1ccc(cc1)OC(F)(F)F
Canonical SMILES:
NCCCc1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C10H12F3NO/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKey:
NMMRPWQPYYIKRW-UHFFFAOYSA-N

Cite this record

CBID:808736 http://www.chembase.cn/molecule-808736.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
IUPAC Traditional name
3-[4-(trifluoromethoxy)phenyl]propan-1-amine
Synonyms
3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPYLAMINE
CAS Number
465529-50-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O26935 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O26935 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) 0.24336624  LogD (pH = 7.4) 0.7658233 
Log P 3.2633557  Molar Refractivity 46.9577 cm3
Polarizability 19.109106 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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