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1017176-48-5 molecular structure
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[1-(2-fluorophenyl)propan-2-yl](methyl)amine

ChemBase ID: 125270
Molecular Formular: C10H14FN
Molecular Mass: 167.2232632
Monoisotopic Mass: 167.11102767
SMILES and InChIs

SMILES:
CC(Cc1ccccc1F)NC
Canonical SMILES:
CNC(Cc1ccccc1F)C
InChI:
InChI=1S/C10H14FN/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3
InChIKey:
XNWIKJYFOIDUGD-UHFFFAOYSA-N

Cite this record

CBID:125270 http://www.chembase.cn/molecule-125270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2-fluorophenyl)propan-2-yl](methyl)amine
IUPAC Traditional name
2-fluoromethamphetamine
Synonyms
2-Fluoromethamphetamine
CAS Number
1017176-48-5
PubChem SID
162219620
PubChem CID
24257263
Chemspider ID
23900072
Wikipedia Title
2-Fluoromethamphetamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.83692724  LogD (pH = 7.4) -0.09887725 
Log P 2.3795328  Molar Refractivity 48.6962 cm3
Polarizability 18.791697 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Admin Routes
oral, insufflation expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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