Basic information
- Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)c1cccc(Br)c1- InChIKey
WWNQMGYJYMXOEU-VIFPVBQESA-N- Molecular formula
- C13H18BrNO2
- Average molar mass
- 300.19 g/mol
Names & identifiers
- Preferred name
- (S)-N-Boc-1-(3-bromophenyl)ethylamine
- IUPAC
- tert-butyl N-[(1S)-1-(3-bromophenyl)ethyl]carbamate
Names & synonyms
477312-85-9(S)-N-Boc-1-(3-bromophenyl)ethylamine(S)-tert-butyl 1-(3-bromophenyl)ethylcarbamateTERT-BUTYL [(1S)-1-(3-BROMOPHENYL)ETHYL]CARBAMATEMFCD09038008tert-butyl N-[(1S)-1-(3-bromophenyl)ethyl]carbamate(S)-tert-Butyl (1-(3-bromophenyl)ethyl)carbamate(S)-[1-(3-BROMO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTERtert-butyl (S)-(1-(3-bromophenyl)ethyl)carbamateCarbamic acid, [(1S)-1-(3-bromophenyl)ethyl]-, 1,1-dimethylethyl esterSCHEMBL5849869WWNQMGYJYMXOEU-VIFPVBQESA-N
Show more names
AKOS017553258CS-W003583AC-29424AS-30217SY026675DB-266785N-Boc-(S)-1-(3-bromophenyl)ethan-1-amineEN300-4326994
Database identifiers
- PubChem CID
- 56971804
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
10 records
Compound notes
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