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Basic information
- Standard SMILES
CC(C)(Cc1ccc([N+](=O)[O-])cc1)NCC(O)c1cccc(Cl)c1- InChIKey
FUXOUHDVBAZGTH-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O3
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.1240702
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-2-[[2-methyl-1-(4-nitrophenyl)propan-2-yl]amino]ethanol
- IUPAC
- 1-(3-chlorophenyl)-2-[[2-methyl-1-(4-nitrophenyl)propan-2-yl]amino]ethanol
Names & synonyms
SCHEMBL6335264
Database identifiers
- PubChem CID
- 22326552
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 406
Related reactions
1 records
Compound notes
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