Basic information
- Standard SMILES
CC(C)CN(C)c1cc(NC(=O)OC(C)(C)C)c(N)cc1Cl- InChIKey
SWEAKJSASQXXAU-UHFFFAOYSA-N- Molecular formula
- C16H26ClN3O2
- Average molar mass
- 327.8 g/mol
Names & identifiers
- Preferred name
- Carbamic acid,[2-amino-4-chloro-5-[methyl(2-methylpropyl)amino]phenyl]-,1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[2-amino-4-chloro-5-[methyl(2-methylpropyl)amino]phenyl]carbamate
Names & synonyms
473547-81-8carbamic acid,[2-amino-4-chloro-5-[methyl(2-methylpropyl)amino]phenyl]-,1,1-dimethylethyl esterSCHEMBL5558131SWEAKJSASQXXAU-UHFFFAOYSA-NDB-214495Tert-butyl 5-(n-isobutyl-N-methylamino)-2-amino-4-chlorophenylcarbamate[2-Amino-4-chloro-5-(isobutyl-methyl-amino)-phenyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69487013
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Related reactions
13 records
Compound notes
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