Basic information
- Standard SMILES
CC(C)N(CCCl)Cc1ccccc1- InChIKey
LGPKPGHKHGLXKI-UHFFFAOYSA-N- Molecular formula
- C12H18ClN
- Average molar mass
- 211.73 g/mol
Names & identifiers
- Preferred name
- N-benzyl-N-(2-chloroethyl)propan-2-amine
- IUPAC
- N-benzyl-N-(2-chloroethyl)propan-2-amine
Names & synonyms
N-benzyl-N-(2-chloroethyl)propan-2-amine40737-53-9Benzenemethanamine, N-(2-chloroethyl)-N-(1-methylethyl)-SCHEMBL9110973LGPKPGHKHGLXKI-UHFFFAOYSA-NAKOS0105421192-(N-isopropylbenzylamino)ethyl chloride
Database identifiers
- PubChem CID
- 48358
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Related reactions
5 records
Linked notes
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