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[(2-fluoro-5-methoxyphenyl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine

ChemBase ID: 322956
Molecular Formular: C16H19FN2O
Molecular Mass: 274.3332632
Monoisotopic Mass: 274.14814146
SMILES and InChIs

SMILES:
c1(c(ccc(c1)OC)F)CN(CCc1ccncc1)C
Canonical SMILES:
COc1ccc(c(c1)CN(CCc1ccncc1)C)F
InChI:
InChI=1S/C16H19FN2O/c1-19(10-7-13-5-8-18-9-6-13)12-14-11-15(20-2)3-4-16(14)17/h3-6,8-9,11H,7,10,12H2,1-2H3
InChIKey:
GUKGMQVDZHZPIT-UHFFFAOYSA-N

Cite this record

CBID:322956 http://www.chembase.cn/molecule-322956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-fluoro-5-methoxyphenyl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine
IUPAC Traditional name
[(2-fluoro-5-methoxyphenyl)methyl](methyl)[2-(pyridin-4-yl)ethyl]amine
Synonyms
(2-fluoro-5-methoxybenzyl)methyl(2-pyridin-4-ylethyl)amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11364977 external link Add to cart
Data Source Data ID Price
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Polarizability 29.999046 Å3 Polar Surface Area 25.36 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.07871059  LogD (pH = 7.4) 2.0104742 
Log P 2.695135  Molar Refractivity 78.491 cm3
Polar Surface Area 25.36 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.63  LOG S -1.14 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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