tert-Butyl 1-[3-(benzylamino)benzyl]cyclopropanecarboxylate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1(Cc2cccc(NCc3ccccc3)c2)CC1- InChIKey
YXWCFHCSYNDHLC-UHFFFAOYSA-N- Molecular formula
- C22H27NO2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.2041791
Names & identifiers
- Preferred name
- tert-Butyl 1-[3-(benzylamino)benzyl]cyclopropanecarboxylate
- IUPAC
- tert-butyl 1-[[3-(benzylamino)phenyl]methyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL1177815YXWCFHCSYNDHLC-UHFFFAOYSA-NDB-173537tert-Butyl 1-[3-(benzylamino)benzyl]cyclopropanecarboxylateTert-butyl 1-(3-(benzylamino)benzyl)cyclopropane-1-carboxylate1192039-89-6
Database identifiers
- PubChem CID
- 58136299
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Related reactions
4 records
Compound notes
Loading…