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162214512 molecular structure
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2-(4-methoxy-1H-indol-1-yl)ethan-1-amine

ChemBase ID: 120159
Molecular Formular: C11H14N2O
Molecular Mass: 190.24166
Monoisotopic Mass: 190.11061308
SMILES and InChIs

SMILES:
c12ccn(c1cccc2OC)CCN
Canonical SMILES:
NCCn1ccc2c1cccc2OC
InChI:
InChI=1S/C11H14N2O/c1-14-11-4-2-3-10-9(11)5-7-13(10)8-6-12/h2-5,7H,6,8,12H2,1H3
InChIKey:
SCKWKAXMRNEMJK-UHFFFAOYSA-N

Cite this record

CBID:120159 http://www.chembase.cn/molecule-120159.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxy-1H-indol-1-yl)ethan-1-amine
IUPAC Traditional name
2-(4-methoxyindol-1-yl)ethanamine
Synonyms
2-(4-methoxy-1H-indol-1-yl)ethanamine
PubChem SID
162214512
PubChem CID
39732341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 39732341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6626037  LogD (pH = 7.4) -0.8757357 
Log P 1.3410288  Molar Refractivity 56.4542 cm3
Polarizability 23.22697 Å3 Polar Surface Area 40.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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