3-Chloro-2,5-dimethylaniline

HCID 20375482

Notes Reactions

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Basic information

CAS: 13711-24-5
Standard SMILES: Cc1cc(N)c(C)c(Cl)c1
InChIKey: QYAKLJJTQHCHLJ-UHFFFAOYSA-N
Molecular formula: C8H10ClN
Average molar mass: 155.62 g/mol
Monoisotopic mass: 155.050177

Names & identifiers

Preferred name: 3-Chloro-2,5-dimethylaniline
IUPAC: 3-chloro-2,5-dimethylaniline

Names & synonyms

3-Chloro-2,5-dimethylaniline13711-24-5Benzenamine, 3-chloro-2,5-dimethyl-SCHEMBL2963949SCHEMBL294348173-Chloro-2,5-dimethylbenzenamineQYAKLJJTQHCHLJ-UHFFFAOYSA-NDTXSID401301473MFCD20691162SY470754

Database identifiers

CAS: 13711-24-5
PubChem CID: 20375482
DTXSID: DTXSID401301473

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Related reactions

6 records

New reaction record

HRID 146392As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 176003As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 501558As productuspto-grants-2010_08

HRID 501559As reactantuspto-grants-2010_08

HRID 751078As productuspto-grants-2008_07

HRID 751079As reactantuspto-grants-2008_07

Compound notes

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