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Indole, 3-(2-amino-2-methylpropyl)-5-bromo-

HCID 13259
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
833-04-5
Standard SMILES
CC(C)(N)Cc1c[nH]c2ccc(Br)cc12
InChIKey
IMBZTQWJYSRGPS-UHFFFAOYSA-N
Molecular formula
C12H15BrN2
Average molar mass
267.16 g/mol
Monoisotopic mass
266.04186058

Names & identifiers

Preferred name
Indole, 3-(2-amino-2-methylpropyl)-5-bromo-
IUPAC
1-(5-bromo-1H-indol-3-yl)-2-methylpropan-2-amine

Names & synonyms

833-04-5BRN 5518967INDOLE, 3-(2-AMINO-2-METHYLPROPYL)-5-BROMO-5-Bromo-alpha,alpha-dimethyltryptamineDTXSID30232251RefChem:349226DTXCID301547421-(5-bromo-1H-indol-3-yl)-2-methylpropan-2-amineSCHEMBL10940983IMBZTQWJYSRGPS-UHFFFAOYSA-NAB098412-(5-bromo 3-indolyl)1,1-dimethyl ethylamine
Show more names
EN300-67298775-bromo-alpha,alpha-dimethyl-1H-indol-3-yl-ethaneamine2-(5-BROMO-1H-INDOL-3-YL)-1,1-DIMETHYL-ETHYLAMINE

Database identifiers

CAS
833-04-5
PubChem CID
13259
DTXSID
DTXSID30232251

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
41.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
230

Related reactions

7 records
New reaction record
HRID 224894 reaction equation
HRID 224894As reactantuspto-grants-1980_11
HRID 224897 reaction equation
HRID 224897As productuspto-grants-1980_11
HRID 949142 reaction equation
HRID 949142As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1222341 reaction equation
HRID 1222341As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1248109 reaction equation
HRID 1248109As reactantuspto-grants-1985_06
HRID 2342025 reaction equation
HRID 2342025As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2413036 reaction equation
HRID 2413036As reactantuspto-grants-1985_01

Compound notes

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