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150517-75-2 molecular structure
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(2-fluoro-6-methoxyphenyl)methanamine

ChemBase ID: 68580
Molecular Formular: C8H10FNO
Molecular Mass: 155.1695032
Monoisotopic Mass: 155.07464217
SMILES and InChIs

SMILES:
NCc1c(cccc1OC)F
Canonical SMILES:
COc1cccc(c1CN)F
InChI:
InChI=1S/C8H10FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKey:
JCXMQSDLDAJYMF-UHFFFAOYSA-N

Cite this record

CBID:68580 http://www.chembase.cn/molecule-68580.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-6-methoxyphenyl)methanamine
IUPAC Traditional name
(2-fluoro-6-methoxyphenyl)methanamine
Synonyms
(2-Fluoro-6-methoxyphenyl)methylamine
2-Fluoro-6-methoxybenzylamine
CAS Number
150517-75-2
MDL Number
MFCD00042292
PubChem SID
162034311
PubChem CID
40786958

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6312261  LogD (pH = 7.4) -0.043450013 
Log P 1.0840449  Molar Refractivity 41.211 cm3
Polarizability 15.8739395 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
76-77°C/3.2mm expand Show data source
Storage Warning
Corrosive/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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