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Ethanamine, 2-(4-iodophenoxy)-N,N-dimethyl-

HCID 887465
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Basic information

CAS
93790-54-6
Standard SMILES
CN(C)CCOc1ccc(I)cc1
InChIKey
NPBOBLCVKKOINL-UHFFFAOYSA-N
Molecular formula
C10H14INO
Average molar mass
291.13 g/mol
Monoisotopic mass
291.01201

Names & identifiers

Preferred name
Ethanamine, 2-(4-iodophenoxy)-N,N-dimethyl-
IUPAC
2-(4-iodophenoxy)-N,N-dimethylethanamine

Names & synonyms

93790-54-6Ethanamine, 2-(4-iodophenoxy)-N,N-dimethyl-DTXSID30358324RefChem:339834DTXCID203093802-(4-iodophenoxy)-N,N-dimethylethanamine[2- (4- iodophenoxy) ethyl] dimethylamine[2-(4-iodophenoxy)ethyl]dimethylamineSCHEMBL2645547NPBOBLCVKKOINL-UHFFFAOYSA-NAKOS0089683802-(4-Iodophenoxy)-N,N-dimethylethan-1-amine

Database identifiers

CAS
93790-54-6
PubChem CID
887465
DTXSID
DTXSID30358324
Nikkaji
J1.928.493J

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
133

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Related reactions

2 records
New reaction record
HRID 459846 reaction equation
HRID 459846As productuspto-grants-2007_03
HRID 1238032 reaction equation
HRID 1238032As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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