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423734-70-7 molecular structure
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[(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine

ChemBase ID: 311334
Molecular Formular: C17H20FNO
Molecular Mass: 273.3452032
Monoisotopic Mass: 273.15289249
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CCNCc1ccc(cc1)OCC
Canonical SMILES:
CCOc1ccc(cc1)CNCCc1ccc(cc1)F
InChI:
InChI=1S/C17H20FNO/c1-2-20-17-9-5-15(6-10-17)13-19-12-11-14-3-7-16(18)8-4-14/h3-10,19H,2,11-13H2,1H3
InChIKey:
FHHNPFFTBMVGME-UHFFFAOYSA-N

Cite this record

CBID:311334 http://www.chembase.cn/molecule-311334.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine
IUPAC Traditional name
[(4-ethoxyphenyl)methyl][2-(4-fluorophenyl)ethyl]amine
Synonyms
(4-ethoxybenzyl)[2-(4-fluorophenyl)ethyl]amine
CAS Number
423734-70-7
MDL Number
MFCD02052658

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) 0.6859002  LogD (pH = 7.4) 1.5939385 
Log P 3.8865676  Molar Refractivity 80.1018 cm3
Polarizability 30.903536 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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