3-Ethyl-4-ethoxy-5-chloroaniline

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Basic information

CAS: 84972-59-8
Standard SMILES: CCOc1c(Cl)cc(N)cc1CC
InChIKey: HABFKJYBWAZWAA-UHFFFAOYSA-N
Molecular formula: C10H14ClNO
Average molar mass: 199.68 g/mol
Monoisotopic mass: 199.0763918

Names & identifiers

Preferred name: 3-Ethyl-4-ethoxy-5-chloroaniline
IUPAC: 3-chloro-4-ethoxy-5-ethylaniline

Names & synonyms

3-Ethyl-4-ethoxy-5-chloroanilineSCHEMBL10755899HABFKJYBWAZWAA-UHFFFAOYSA-N3-chloro-4-ethoxy-5-ethylanilineDTXSID5012896743-Chloro-4-ethoxy-5-ethylbenzenamine84972-59-8

Database identifiers

CAS: 84972-59-8
PubChem CID: 20187599
DTXSID: DTXSID501289674

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Related reactions

2 records

New reaction record

HRID 1558041As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2308732As reactantuspto-grants-1987_09

Compound notes

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