Basic information
- Standard SMILES
COc1ccc(CN(CCCl)CCCl)cc1- InChIKey
XVEHBTQWYNXBED-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO
- Average molar mass
- 262.17 g/mol
Names & identifiers
- Preferred name
- Bis-(2-chloro-ethyl)-(4-methoxy-benzyl)-amine
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]ethanamine
Names & synonyms
bis-(2-chloro-ethyl)-(4-methoxy-benzyl)-amine91561-99-82-chloro-N-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]ethanamineN,N-bis(2-chloroethyl)-p-methoxybenzylamineNCIOpen2_003517SCHEMBL6214827XVEHBTQWYNXBED-UHFFFAOYSA-NDA-01025H27931bis-(2 chloro-ethyl)-(4-methoxy-benzyl)-amineA1-01287
Database identifiers
- PubChem CID
- 415290
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Related reactions
9 records
Compound notes
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