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247907-28-4 molecular structure
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[(2-fluorophenyl)methyl](2-methoxyethyl)amine

ChemBase ID: 312243
Molecular Formular: C10H14FNO
Molecular Mass: 183.2226632
Monoisotopic Mass: 183.10594229
SMILES and InChIs

SMILES:
c1(c(F)cccc1)CNCCOC
Canonical SMILES:
COCCNCc1ccccc1F
InChI:
InChI=1S/C10H14FNO/c1-13-7-6-12-8-9-4-2-3-5-10(9)11/h2-5,12H,6-8H2,1H3
InChIKey:
NDWGOVPDNOAEBH-UHFFFAOYSA-N

Cite this record

CBID:312243 http://www.chembase.cn/molecule-312243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-fluorophenyl)methyl](2-methoxyethyl)amine
IUPAC Traditional name
[(2-fluorophenyl)methyl](2-methoxyethyl)amine
Synonyms
(2-fluorobenzyl)(2-methoxyethyl)amine
CAS Number
247907-28-4
MDL Number
MFCD07408106

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0880511  LogD (pH = 7.4) 0.6173764 
Log P 1.6273211  Molar Refractivity 50.5659 cm3
Polarizability 19.56235 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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