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1626-71-7 molecular structure
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1-(3-fluorophenyl)propan-2-amine

ChemBase ID: 125378
Molecular Formular: C9H12FN
Molecular Mass: 153.1966832
Monoisotopic Mass: 153.09537761
SMILES and InChIs

SMILES:
Fc1cccc(c1)CC(C)N
Canonical SMILES:
CC(Cc1cccc(c1)F)N
InChI:
InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
InChIKey:
PIOCLGPCMNPZFT-UHFFFAOYSA-N

Cite this record

CBID:125378 http://www.chembase.cn/molecule-125378.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-fluorophenyl)propan-2-amine
IUPAC Traditional name
3-fluoroamphetamine
Synonyms
3-Fluoroamphetamine
CAS Number
1626-71-7
PubChem SID
162219728
PubChem CID
121501
Chemspider ID
108417
Wikipedia Title
3-Fluoroamphetamine

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) -1.0707059  LogD (pH = 7.4) -0.4983655 
Log P 1.9469525  Molar Refractivity 43.9216 cm3
Polarizability 16.948175 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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