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MFCD12774767 molecular structure
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2-[4-(difluoromethoxy)phenyl]propan-2-amine

ChemBase ID: 270747
Molecular Formular: C10H13F2NO
Molecular Mass: 201.2131264
Monoisotopic Mass: 201.09652048
SMILES and InChIs

SMILES:
C(Oc1ccc(C(N)(C)C)cc1)(F)F
Canonical SMILES:
FC(Oc1ccc(cc1)C(N)(C)C)F
InChI:
InChI=1S/C10H13F2NO/c1-10(2,13)7-3-5-8(6-4-7)14-9(11)12/h3-6,9H,13H2,1-2H3
InChIKey:
ZIQRTADVNUAERV-UHFFFAOYSA-N

Cite this record

CBID:270747 http://www.chembase.cn/molecule-270747.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(difluoromethoxy)phenyl]propan-2-amine
IUPAC Traditional name
2-[4-(difluoromethoxy)phenyl]propan-2-amine
Synonyms
2-[4-(difluoromethoxy)phenyl]propan-2-amine
MDL Number
MFCD12774767
PubChem SID
164326657
PubChem CID
50986507

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69828 external link Add to cart Please log in.
Data Source Data ID
PubChem 50986507 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.45099258  LogD (pH = 7.4) 0.14887644 
Log P 2.565253  Molar Refractivity 50.0605 cm3
Polarizability 19.336319 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.167 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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