1H-Inden-2-amine, 2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-
Basic information
- CAS
82668-33-5- Standard SMILES
CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1- InChIKey
UOLJKAPABHXFRE-UHFFFAOYSA-N- Molecular formula
- C17H27NO2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.2041791
Overview
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is a member of indanes.
Names & identifiers
- Preferred name
- 1H-Inden-2-amine, 2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-
- IUPAC
- 5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
- English name
- 1H-Inden-2-amine,2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-
- Molecular formula
- C17H27NO2
- Molecular weight
- 277.4
Names & synonyms
82668-33-5JPC-2115,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine1H-Inden-2-amine, 2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-U-99194PNU-99194A free baseCHEMBL16410929J96FO8TJPC 2111H-Inden-2-amine,2,3-dihydro-5,6-dimethoxy-N,N-dipropyl-1217227-99-0UNII-929J96FO8T
Show more names
TAM-67U 991942-Di-n-propylamino-5,6-dimethoxyindaneNCGC00016073-01Tocris-1357Lopac-U-116Biomol-NT_000031Lopac0_001207
Database identifiers
- CAS
82668-33-5- PubChem CID
- 5626
- DTXSID
DTXSID50274471- ChEMBL
CHEMBL16410- ChEBI
CHEBI:93232- UNII
- 929J96FO8T
- Nikkaji
- J915.539B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 210 · 210-214 °C
- Boiling point
- 380.7 · 380.7±42.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 9.03 · 9.03±0.20(Predicted)
- FDA UNII
- 929 J96FO8T · 929J96FO8T
Chemistry & industry
Applications
UsesU-99194 is a potent and selective D3 receptor antagonist[1].
Additional notes
DefinitionChEBI: 5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine is a member of indanes.
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Related reactions
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Compound notes
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