Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(CCNC[C@H](O)COc2ccccc2)cc1- InChIKey
IRUQBASGFDASFI-INIZCTEOSA-N- Molecular formula
- C17H20N2O4
- Average molar mass
- 316.35 g/mol
Names & identifiers
- Preferred name
- (s)-1-Phenoxy-3-[[2-(4-nitrophenyl)ethyl]amino]-2-propanol
- IUPAC
- (2S)-1-[2-(4-nitrophenyl)ethylamino]-3-phenoxypropan-2-ol
Names & synonyms
SCHEMBL7014595IRUQBASGFDASFI-INIZCTEOSA-N(s)-1-phenoxy-3-[[2-(4-nitrophenyl)ethyl]-amino]-2-propanol(s)-1-phenoxy-3-[[2-(4-nitrophenyl)ethyl]amino]-2-propanol
Database identifiers
- PubChem CID
- 53932073
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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