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3569-29-7 molecular structure
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1-(4-methyl-1H-indol-3-yl)propan-2-amine

ChemBase ID: 125443
Molecular Formular: C12H16N2
Molecular Mass: 188.26884
Monoisotopic Mass: 188.13134852
SMILES and InChIs

SMILES:
CC(N)Cc1c2c([nH]c1)cccc2C
Canonical SMILES:
CC(Cc1c[nH]c2c1c(C)ccc2)N
InChI:
InChI=1S/C12H16N2/c1-8-4-3-5-11-12(8)10(7-14-11)6-9(2)13/h3-5,7,9,14H,6,13H2,1-2H3
InChIKey:
KEOYEGHPRBDSKD-UHFFFAOYSA-N

Cite this record

CBID:125443 http://www.chembase.cn/molecule-125443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methyl-1H-indol-3-yl)propan-2-amine
IUPAC Traditional name
4-methyl-amt
Synonyms
4-Methyl-AMT
CAS Number
3569-29-7
PubChem SID
162219793
PubChem CID
53990585
28806639
Chemspider ID
25392939
Wikipedia Title
4-Methyl-AMT

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.543282  H Acceptors
H Donor LogD (pH = 5.5) -0.6008156 
LogD (pH = 7.4) -0.020315574  Log P 2.4164338 
Molar Refractivity 59.8329 cm3 Polarizability 24.381454 Å3
Polar Surface Area 41.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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