Basic information
- Standard SMILES
NCC(CCOC1CCCCO1)c1ccc(Cl)c(Cl)c1- InChIKey
SGVWGQRMFAWWKV-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2NO2
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 317.0949343
Names & identifiers
- Preferred name
- 2-(3-(3,4-Dichlorophenyl)-4-aminobutyl)oxytetrahydropyran
- IUPAC
- 2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butan-1-amine
Names & synonyms
135936-08-22-(3-(3,4-dichlorophenyl)-4-aminobutyl)oxytetrahydropyran2-(3,4-dichlorophenyl)-4-(oxan-2-yloxy)butan-1-amine2-(3,4-Dichlorophenyl)-4-((tetrahydro-2H-pyran-2-yl)oxy)butan-1-amineSCHEMBL5858706SGVWGQRMFAWWKV-UHFFFAOYSA-NAKOS0159548882-(3,4-Dichlorophenyl)-4-(tetrahydro-2-pyranyloxy)-butylamine2-(3,4-dichlorophenyl)-4-(tetrahydropyran-2-yloxy)butylamine4-(tetrahydropyran-2-yloxy)-2-(3,4-dichlorophenyl)-1-aminobutane2-(3,4-Dichlorophenyl)-4-(tetrahydro-2H-pyran-2-yloxy)-1-butanamine
Database identifiers
- PubChem CID
- 15670808
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
13 records
Compound notes
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