Basic information
- Standard SMILES
CC(C)CC(N)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
CBOBNVHAKOSFPV-UHFFFAOYSA-N- Molecular formula
- C16H25NO2
- Average molar mass
- 263.37 g/mol
- Monoisotopic mass
- 263.18852904
Names & identifiers
- Preferred name
- Tert-butyl(+/-)-4-(1-amino-3-methylbutyl)benzoate
- IUPAC
- tert-butyl 4-(1-amino-3-methylbutyl)benzoate
Names & synonyms
SCHEMBL14670158CBOBNVHAKOSFPV-UHFFFAOYSA-Ntert-butyl(+/-)-4-(1-amino-3-methylbutyl)benzoatetert-butyl (+/-)-4-(1-amino-3-methylbutyl)benzoate
Database identifiers
- PubChem CID
- 71243809
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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