Basic information
- CAS
82691-33-6- Standard SMILES
CC(C)NC(C)Cc1ccc(I)cc1- InChIKey
ISEHJSHTIVKELA-UHFFFAOYSA-N- Molecular formula
- C12H18IN
- Average molar mass
- 303.18 g/mol
- Monoisotopic mass
- 303.0484
Overview
An amphetamine analog that is rapidly taken up by the lungs and from there redistributed primarily to the brain and liver. It is used in brain radionuclide scanning with I-123.
Names & identifiers
- Preferred name
- 4-Iodo-alpha-methyl-N-(1-methylethyl)benzeneethanamine
- IUPAC
- 1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
Names & synonyms
iofetamine82691-33-6N-Isopropyl-p-iodoamphetamineC2A5X0804295896-48-3DTXSID3048443Benzeneethanamine, 4-iodo-alpha-methyl-N-(1-methylethyl)-Hydrochloride, I-123 IofetamineI-123, IofetamineIodine 123 IMPRefChem:389076N Isopropyl p iodoamphetamine
Show more names
DTXCID9028417I-123 Iofetamine HydrochlorideIofetamine Hydrochloride, I 123N-Isopropyl-p-(Iodine-123)-IodoamphetamineN-Isopropyl-p-iodoamphetamine (I123) Hydrochloride4-Iodo-alpha-methyl-N-(1-methylethyl)benzeneethanamineIodine-123-IMP(+/-)-N-Isopropyl-4-iodoamphetamine
Database identifiers
- CAS
82691-33-6- PubChem CID
- 3729
- DTXSID
DTXSID3048443- ChEMBL
CHEMBL1201308- UNII
- C2A5X08042
- Nikkaji
- J362.450A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
LogP1.6
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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