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125903-69-7 molecular structure
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1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine

ChemBase ID: 125229
Molecular Formular: C11H16FNO2
Molecular Mass: 213.2486432
Monoisotopic Mass: 213.11650698
SMILES and InChIs

SMILES:
CC(Cc1cc(c(cc1OC)F)OC)N
Canonical SMILES:
COc1cc(F)c(cc1CC(N)C)OC
InChI:
InChI=1S/C11H16FNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey:
NRANUECGGQVXOT-UHFFFAOYSA-N

Cite this record

CBID:125229 http://www.chembase.cn/molecule-125229.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine
IUPAC Traditional name
1-(4-fluoro-2,5-dimethoxyphenyl)propan-2-amine
Synonyms
2,5-Dimethoxy-4-fluoroamphetamine
CAS Number
125903-69-7
PubChem SID
162219579
PubChem CID
23844155
CHEMBL
267526
Chemspider ID
23108678
Wikipedia Title
2,5-Dimethoxy-4-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) -1.3840227  LogD (pH = 7.4) -0.7727647 
Log P 1.6316099  Molar Refractivity 56.848 cm3
Polarizability 22.009855 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Admin Routes
Oral, Insufflation expand Show data source
Legal Status
Uncontrolled (but may be covered under the Federal Analogue Act in the United States and under similar laws in other countries) expand Show data source

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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