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[(2-fluoro-5-methoxyphenyl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine

ChemBase ID: 341565
Molecular Formular: C16H24FNO2
Molecular Mass: 281.3656632
Monoisotopic Mass: 281.17910723
SMILES and InChIs

SMILES:
c1(c(ccc(c1)OC)F)CN(CCCC1OCCC1)C
Canonical SMILES:
COc1ccc(c(c1)CN(CCCC1CCCO1)C)F
InChI:
InChI=1S/C16H24FNO2/c1-18(9-3-5-14-6-4-10-20-14)12-13-11-15(19-2)7-8-16(13)17/h7-8,11,14H,3-6,9-10,12H2,1-2H3
InChIKey:
GNZKGWJILDJKPY-UHFFFAOYSA-N

Cite this record

CBID:341565 http://www.chembase.cn/molecule-341565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-fluoro-5-methoxyphenyl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine
IUPAC Traditional name
[(2-fluoro-5-methoxyphenyl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine
Synonyms
(2-fluoro-5-methoxybenzyl)methyl[3-(tetrahydrofuran-2-yl)propyl]amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14037205 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.31349853  LogD (pH = 7.4) 2.0865383 
Log P 2.8955846  Molar Refractivity 79.045 cm3
Polarizability 30.559065 Å3 Polar Surface Area 21.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.78  LOG S -2.62 
Polar Surface Area 21.7 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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