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355815-47-3 molecular structure
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[(4-fluorophenyl)methyl][(4-methoxyphenyl)methyl]amine

ChemBase ID: 11194
Molecular Formular: C15H16FNO
Molecular Mass: 245.2920432
Monoisotopic Mass: 245.12159236
SMILES and InChIs

SMILES:
N(Cc1ccc(cc1)OC)Cc1ccc(F)cc1
Canonical SMILES:
COc1ccc(cc1)CNCc1ccc(cc1)F
InChI:
InChI=1S/C15H16FNO/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChIKey:
LIBJHDIVUMLQNL-UHFFFAOYSA-N

Cite this record

CBID:11194 http://www.chembase.cn/molecule-11194.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-fluorophenyl)methyl][(4-methoxyphenyl)methyl]amine
IUPAC Traditional name
[(4-fluorophenyl)methyl][(4-methoxyphenyl)methyl]amine
Synonyms
(4-Fluoro-benzyl)-(4-methoxy-benzyl)-amine
CAS Number
355815-47-3
MDL Number
MFCD01134878
PubChem SID
160974501
PubChem CID
738562

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 738562 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.256227  LogD (pH = 7.4) 1.7978483 
Log P 3.2410984  Molar Refractivity 70.5982 cm3
Polarizability 27.29209 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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