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149489-17-8 molecular structure
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2-[3-(propan-2-yloxy)phenyl]ethan-1-amine

ChemBase ID: 308831
Molecular Formular: C11H17NO
Molecular Mass: 179.25878
Monoisotopic Mass: 179.13101417
SMILES and InChIs

SMILES:
c1(OC(C)C)cc(ccc1)CCN
Canonical SMILES:
NCCc1cccc(c1)OC(C)C
InChI:
InChI=1S/C11H17NO/c1-9(2)13-11-5-3-4-10(8-11)6-7-12/h3-5,8-9H,6-7,12H2,1-2H3
InChIKey:
JSECYUMSFUEJPJ-UHFFFAOYSA-N

Cite this record

CBID:308831 http://www.chembase.cn/molecule-308831.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(propan-2-yloxy)phenyl]ethan-1-amine
IUPAC Traditional name
2-(3-isopropoxyphenyl)ethanamine
Synonyms
2-(3-isopropoxyphenyl)ethanamine
CAS Number
149489-17-8
MDL Number
MFCD05670648

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4034419 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0050839  LogD (pH = 7.4) -0.28010735 
Log P 2.0033872  Molar Refractivity 54.917 cm3
Polarizability 21.682055 Å3 Polar Surface Area 35.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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