Basic information
- Standard SMILES
CC(C)CNc1cc(NC(=O)OC(C)(C)C)c(N)cc1Cl- InChIKey
KRWKPWWLGUDSOV-UHFFFAOYSA-N- Molecular formula
- C15H24ClN3O2
- Average molar mass
- 313.82 g/mol
- Monoisotopic mass
- 313.1557047
Names & identifiers
- Preferred name
- Carbamic acid,[2-amino-4-chloro-5-[(2-methylpropyl)amino]phenyl]-,1,1-dimethylethyl ester
- IUPAC
- tert-butyl N-[2-amino-4-chloro-5-(2-methylpropylamino)phenyl]carbamate
Names & synonyms
473547-88-5carbamic acid,[2-amino-4-chloro-5-[(2-methylpropyl)amino]phenyl]-,1,1-dimethylethyl esterSCHEMBL5562128KRWKPWWLGUDSOV-UHFFFAOYSA-NDB-189102Tert-butyl 2-amino-4-chloro-5-(isobutylamino)phenylcarbamate(2-Amino-4-chloro-5-isobutylamino-phenyl)-carbamic acid tert-butyl ester[2-amino-4-chloro-5-(isobutyl-amino)-phenyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69489120
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
14 records
Compound notes
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