N-[2-(1-Azabicyclo[3.3.0]octan-5-yl)ethyl]-2-chloroaniline
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Basic information
- Standard SMILES
Clc1ccccc1NCCC12CCCN1CCC2- InChIKey
KEQZVICIJVPIEZ-UHFFFAOYSA-N- Molecular formula
- C15H21ClN2
- Average molar mass
- 264.79 g/mol
- Monoisotopic mass
- 264.1393264
Names & identifiers
- Preferred name
- N-[2-(1-Azabicyclo[3.3.0]octan-5-yl)ethyl]-2-chloroaniline
- IUPAC
- 2-chloro-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]aniline
Names & synonyms
SCHEMBL8967641KEQZVICIJVPIEZ-UHFFFAOYSA-NN-[2-(1-Azabicyclo[3.3.0]octan-5-yl)ethyl]-2-chloroaniline
Database identifiers
- PubChem CID
- 10587741
- Nikkaji
- J1.043.719I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
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Related reactions
2 records
Compound notes
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