Basic information
- CAS
5338-88-5- Standard SMILES
CC(C)CN(CCc1ccc([N+](=O)[O-])cc1)CC(C)C- InChIKey
APFPFHLRMFQGRR-UHFFFAOYSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- 2-Methyl-n-(2-methylpropyl)-n-[2-(4-nitrophenyl)ethyl]propan-1-amine
- IUPAC
- 2-methyl-N-(2-methylpropyl)-N-[2-(4-nitrophenyl)ethyl]propan-1-amine
Names & synonyms
5338-88-5NSC34352-methyl-n-(2-methylpropyl)-n-[2-(4-nitrophenyl)ethyl]propan-1-amineDTXSID90968029NSC-3435AKOS008750995
Database identifiers
- CAS
5338-88-5- PubChem CID
- 220533
- DTXSID
DTXSID90968029
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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