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353779-40-5 molecular structure
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[(3-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine

ChemBase ID: 310830
Molecular Formular: C16H18FNO
Molecular Mass: 259.3186232
Monoisotopic Mass: 259.13724242
SMILES and InChIs

SMILES:
c1c(F)cccc1CNCCc1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)CCNCc1cccc(c1)F
InChI:
InChI=1S/C16H18FNO/c1-19-16-7-5-13(6-8-16)9-10-18-12-14-3-2-4-15(17)11-14/h2-8,11,18H,9-10,12H2,1H3
InChIKey:
MEOMVRCTJZCXGY-UHFFFAOYSA-N

Cite this record

CBID:310830 http://www.chembase.cn/molecule-310830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
IUPAC Traditional name
[(3-fluorophenyl)methyl][2-(4-methoxyphenyl)ethyl]amine
Synonyms
(3-fluorobenzyl)[2-(4-methoxyphenyl)ethyl]amine
CAS Number
353779-40-5
MDL Number
MFCD01135552

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.34439635  LogD (pH = 7.4) 1.3669297 
Log P 3.5297596  Molar Refractivity 75.3532 cm3
Polarizability 29.059845 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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