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15402-84-3 molecular structure
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1-(2-methoxyphenyl)propan-2-amine

ChemBase ID: 125275
Molecular Formular: C10H15NO
Molecular Mass: 165.2322
Monoisotopic Mass: 165.11536411
SMILES and InChIs

SMILES:
O(c1ccccc1CC(N)C)C
Canonical SMILES:
COc1ccccc1CC(N)C
InChI:
InChI=1S/C10H15NO/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6,8H,7,11H2,1-2H3
InChIKey:
VBAHFEPKESUPDE-UHFFFAOYSA-N

Cite this record

CBID:125275 http://www.chembase.cn/molecule-125275.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxyphenyl)propan-2-amine
IUPAC Traditional name
2-methoxyamphetamine
Synonyms
2-Methoxyamphetamine
1-(2-methoxyphenyl)propan-2-amine
CAS Number
15402-84-3
MDL Number
MFCD00869527
PubChem SID
162219625
PubChem CID
159755
CHEMBL
16451
Chemspider ID
140465
Wikipedia Title
2-Methoxyamphetamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3697842  LogD (pH = 7.4) -0.77214295 
Log P 1.6465793  Molar Refractivity 50.1684 cm3
Polarizability 19.836973 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.661 expand Show data source
Admin Routes
Oral expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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