Basic information
- Standard SMILES
Cc1ccc(Cl)cc1NCC1OCCO1- InChIKey
HNDFPBZYKZEWKQ-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Names & identifiers
- Preferred name
- N-(1,3-Dioxolan-2-ylmethyl)-2-methyl-5-chloroaniline
- IUPAC
- 5-chloro-N-(1,3-dioxolan-2-ylmethyl)-2-methylaniline
Names & synonyms
SCHEMBL11794988HNDFPBZYKZEWKQ-UHFFFAOYSA-NN-(1,3-dioxolan-2-ylmethyl)-2-methyl-5chloroanilineN-(1,3-Dioxolan-2-ylmethyl)-2-methyl-5-chloroaniline
Database identifiers
- PubChem CID
- 21548992
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
8 records
Compound notes
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