N-(3,5-dimethylcyclohexyl)-4-methyl-3-nitroaniline
Basic information
- CAS
1472019-36-5- Standard SMILES
Cc1ccc(NC2CC(C)CC(C)C2)cc1[N+](=O)[O-]- InChIKey
POMAMOZDTXHPMR-UHFFFAOYSA-N- Molecular formula
- C15H22N2O2
- Average molar mass
- 262.35 g/mol
- Monoisotopic mass
- 262.16812795
Names & identifiers
- Preferred name
- N-(3,5-dimethylcyclohexyl)-4-methyl-3-nitroaniline
- IUPAC
- N-(3,5-dimethylcyclohexyl)-4-methyl-3-nitroaniline
Names & synonyms
DTXSID301196540AKOS014081285N-(3,5-dimethylcyclohexyl)-4-methyl-3-nitroanilineBenzenamine, N-(3,5-dimethylcyclohexyl)-4-methyl-3-nitro-1472019-36-5
Database identifiers
- CAS
1472019-36-5- PubChem CID
- 64753333
- DTXSID
DTXSID301196540
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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