(S)-1-(4-tert-Butoxyphenyl)-1-cyclopropylmethanamine
Basic information
- CAS
1213494-52-0- Standard SMILES
CC(C)(C)Oc1ccc([C@@H](N)C2CC2)cc1- InChIKey
LEELXCHDYGGVFE-ZDUSSCGKSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- (S)-1-(4-tert-Butoxyphenyl)-1-cyclopropylmethanamine
- IUPAC
- (S)-cyclopropyl-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
Names & synonyms
DTXSID501187743(S)-1-(4-tert-Butoxyphenyl)-1-cyclopropylmethanamine(I+/-S)-I+/--Cyclopropyl-4-(1,1-dimethylethoxy)benzenemethanamine1213494-52-0
Database identifiers
- CAS
1213494-52-0- PubChem CID
- 95443370
- DTXSID
DTXSID501187743
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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