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(4-Bromo-2-tert-butylphenyl)dimethylamine

HCID 67276232
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Basic information

Standard SMILES
CN(C)c1ccc(Br)cc1C(C)(C)C
InChIKey
CYOIOEAABFQXNW-UHFFFAOYSA-N
Molecular formula
C12H18BrN
Average molar mass
256.18 g/mol
Monoisotopic mass
255.06226

Names & identifiers

Preferred name
(4-Bromo-2-tert-butylphenyl)dimethylamine
IUPAC
4-bromo-2-tert-butyl-N,N-dimethylaniline

Names & synonyms

(4-bromo-2-tert-butylphenyl)dimethylamine1079742-52-1SCHEMBL2098379CYOIOEAABFQXNW-UHFFFAOYSA-NDA-25656

Database identifiers

PubChem CID
67276232

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
183

Related reactions

2 records
New reaction record
HRID 206603 reaction equation
HRID 206603As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1698400 reaction equation
HRID 1698400As reactantuspto-grants-2012_04

Compound notes

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