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MFCD12047071 molecular structure
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(3-amino-1,1,1-trifluoropropan-2-yl)(benzyl)methylamine

ChemBase ID: 270559
Molecular Formular: C11H15F3N2
Molecular Mass: 232.2454096
Monoisotopic Mass: 232.11873315
SMILES and InChIs

SMILES:
C(C(N(Cc1ccccc1)C)CN)(F)(F)F
Canonical SMILES:
NCC(C(F)(F)F)N(Cc1ccccc1)C
InChI:
InChI=1S/C11H15F3N2/c1-16(10(7-15)11(12,13)14)8-9-5-3-2-4-6-9/h2-6,10H,7-8,15H2,1H3
InChIKey:
NWQGMUAFARXZRD-UHFFFAOYSA-N

Cite this record

CBID:270559 http://www.chembase.cn/molecule-270559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-amino-1,1,1-trifluoropropan-2-yl)(benzyl)methylamine
IUPAC Traditional name
(3-amino-1,1,1-trifluoropropan-2-yl)(benzyl)methylamine
Synonyms
(3-amino-1,1,1-trifluoropropan-2-yl)(benzyl)methylamine
MDL Number
MFCD12047071
PubChem SID
164326469
PubChem CID
43752655

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69503 external link Add to cart Please log in.
Data Source Data ID
PubChem 43752655 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.79991806  LogD (pH = 7.4) 0.42857638 
Log P 2.132522  Molar Refractivity 57.6708 cm3
Polarizability 21.76792 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.456 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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