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162214534 molecular structure
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1-(2-methylpropyl)-1H-indol-4-amine hydrochloride

ChemBase ID: 120181
Molecular Formular: C12H17ClN2
Molecular Mass: 224.72978
Monoisotopic Mass: 224.10802623
SMILES and InChIs

SMILES:
n1(c2c(cc1)c(N)ccc2)CC(C)C.Cl
Canonical SMILES:
CC(Cn1ccc2c1cccc2N)C.Cl
InChI:
InChI=1S/C12H16N2.ClH/c1-9(2)8-14-7-6-10-11(13)4-3-5-12(10)14;/h3-7,9H,8,13H2,1-2H3;1H
InChIKey:
QZGMMCCPYJYNAY-UHFFFAOYSA-N

Cite this record

CBID:120181 http://www.chembase.cn/molecule-120181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methylpropyl)-1H-indol-4-amine hydrochloride
IUPAC Traditional name
1-(2-methylpropyl)indol-4-amine hydrochloride
Synonyms
1-isobutyl-1H-indol-4-amine hydrochloride
PubChem SID
162214534
PubChem CID
56723685

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56723685 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7065415  LogD (pH = 7.4) 2.711004 
Log P 2.711061  Molar Refractivity 60.4858 cm3
Polarizability 24.046373 Å3 Polar Surface Area 30.95 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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