Basic information
- Standard SMILES
C#CCOCCCCCCN(Cc1ccccc1)CC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
GXHQRDIZHNQDSX-UHFFFAOYSA-N- Molecular formula
- C24H30Cl2N2O2
- Average molar mass
- 449.4 g/mol
- Monoisotopic mass
- 448.1684336
Names & identifiers
- Preferred name
- 4-Amino-3,5-dichloro-alpha-[[(phenylmethyl)[6-[(2-propynyl)oxy]hexyl]amino]methyl]benzenemethanol
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-[benzyl(6-prop-2-ynoxyhexyl)amino]ethanol
Names & synonyms
SCHEMBL9764358GXHQRDIZHNQDSX-UHFFFAOYSA-N4-amino-3,5-dichloro-alpha-[[(phenylmethyl)[6-[(2-propynyl)oxy]hexyl]amino]methyl]benzenemethanol
Database identifiers
- PubChem CID
- 20062846
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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