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MFCD09040716 molecular structure
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2-fluoro-1-(4-methoxyphenyl)ethan-1-amine

ChemBase ID: 280120
Molecular Formular: C9H12FNO
Molecular Mass: 169.1960832
Monoisotopic Mass: 169.09029223
SMILES and InChIs

SMILES:
c1(ccc(cc1)OC)C(N)CF
Canonical SMILES:
FCC(c1ccc(cc1)OC)N
InChI:
InChI=1S/C9H12FNO/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,9H,6,11H2,1H3
InChIKey:
GNDIMHGDBHXPAB-UHFFFAOYSA-N

Cite this record

CBID:280120 http://www.chembase.cn/molecule-280120.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-1-(4-methoxyphenyl)ethan-1-amine
IUPAC Traditional name
2-fluoro-1-(4-methoxyphenyl)ethanamine
Synonyms
2-fluoro-1-(4-methoxyphenyl)ethanamine
MDL Number
MFCD09040716
PubChem SID
180665651
PubChem CID
16228762

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87193 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228762 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4976077  LogD (pH = 7.4) 0.10156609 
Log P 1.2020998  Molar Refractivity 45.265 cm3
Polarizability 17.73653 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)
1.045 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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