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355382-50-2 molecular structure
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[2-(4-fluorophenyl)ethyl][(3-methoxyphenyl)methyl]amine

ChemBase ID: 310858
Molecular Formular: C16H18FNO
Molecular Mass: 259.3186232
Monoisotopic Mass: 259.13724242
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CCNCc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CNCCc1ccc(cc1)F
InChI:
InChI=1S/C16H18FNO/c1-19-16-4-2-3-14(11-16)12-18-10-9-13-5-7-15(17)8-6-13/h2-8,11,18H,9-10,12H2,1H3
InChIKey:
KBPKTCOYKKWYTQ-UHFFFAOYSA-N

Cite this record

CBID:310858 http://www.chembase.cn/molecule-310858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(4-fluorophenyl)ethyl][(3-methoxyphenyl)methyl]amine
IUPAC Traditional name
[2-(4-fluorophenyl)ethyl][(3-methoxyphenyl)methyl]amine
Synonyms
2-(4-fluorophenyl)-N-(3-methoxybenzyl)ethanamine
CAS Number
355382-50-2
MDL Number
MFCD01135626

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) 0.33545575  LogD (pH = 7.4) 1.2953668 
Log P 3.5297596  Molar Refractivity 75.3532 cm3
Polarizability 29.06022 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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