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MFCD09040720 molecular structure
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2-fluoro-1-(naphthalen-2-yl)ethan-1-amine

ChemBase ID: 280124
Molecular Formular: C12H12FN
Molecular Mass: 189.2287832
Monoisotopic Mass: 189.09537761
SMILES and InChIs

SMILES:
c1(cc2c(cc1)cccc2)C(N)CF
Canonical SMILES:
FCC(c1ccc2c(c1)cccc2)N
InChI:
InChI=1S/C12H12FN/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2
InChIKey:
SWUPTKLSWOBWBH-UHFFFAOYSA-N

Cite this record

CBID:280124 http://www.chembase.cn/molecule-280124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-1-(naphthalen-2-yl)ethan-1-amine
IUPAC Traditional name
2-fluoro-1-(naphthalen-2-yl)ethanamine
Synonyms
2-fluoro-1-(2-naphthyl)ethanamine
MDL Number
MFCD09040720
PubChem SID
180665655
PubChem CID
16228766

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87197 external link Add to cart Please log in.
Data Source Data ID
PubChem 16228766 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.32433313  LogD (pH = 7.4) 1.2918986 
Log P 2.349248  Molar Refractivity 55.252 cm3
Polarizability 22.758165 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.3 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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