Basic information
- Standard SMILES
CC(C)CNCc1cc(Cl)c2c(c1)OCCCO2- InChIKey
DSFYIEMNYWISAR-UHFFFAOYSA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
Names & identifiers
- Preferred name
- N-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpropan-1-amine
- IUPAC
- N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylpropan-1-amine
Names & synonyms
SCHEMBL565394DSFYIEMNYWISAR-UHFFFAOYSA-NAKOS009005834N-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpropan-1-amine
Database identifiers
- PubChem CID
- 43087680
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
10 records
Compound notes
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