Basic information
- Standard SMILES
CC(C)(C)c1ccc(CNCCc2ccc(Cl)c(Cl)c2)nc1- InChIKey
FUQRPXLEJXZZTO-UHFFFAOYSA-N- Molecular formula
- C18H22Cl2N2
- Average molar mass
- 337.3 g/mol
Names & identifiers
- Preferred name
- (5-Tert-butyl-pyridin-2-ylmethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-amine
- IUPAC
- N-[(5-tert-butyl-2-pyridinyl)methyl]-2-(3,4-dichlorophenyl)ethanamine
Names & synonyms
SCHEMBL1397550FUQRPXLEJXZZTO-UHFFFAOYSA-N(5-tert-butyl-pyridin-2-ylmethyl)-[2-(3,4-dichloro-phenyl)-ethyl]-amine
Database identifiers
- PubChem CID
- 67017705
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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