Basic information
- CAS
286834-81-9- Standard SMILES
CC(N)Cc1ccc2occc2c1- InChIKey
VKUMKUZDZWHMQU-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Overview
5-APB is a member of benzofurans.
Names & identifiers
- Preferred name
- 5-(2-Aminopropyl)benzofuran
- IUPAC
- 1-(1-benzofuran-5-yl)propan-2-amine
Names & synonyms
5-(2-Aminopropyl)benzofuran5-APB286834-81-91-(Benzofuran-5-yl)propan-2-amine5-Benzofuranethanamine, alpha-methyl-alpha-Methyl-5-benzofuranethanamine2M3825704HDTXSID101010106RefChem:101585DTXCID4014365256U6P4JU5L21-(1-benzofuran-5-yl)propan-2-amine
Show more names
UNII-2M3825704Horb2815527SCHEMBL5988009SCHEMBL29528156CHEBI:1908641-(benzofur-5-yl)-2-aminopropane1-(1-benzouran-5-yl)propan-2-amineAKOS006291449
Database identifiers
- CAS
286834-81-9- PubChem CID
- 9837232
- DTXSID
DTXSID101010106- ChEBI
CHEBI:190864- UNII
- 2M3825704H
- Nikkaji
- J3.267.867J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (H)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section129.32 Ų [M+H-NH3]+
Related reactions
3 records
Compound notes
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