5-chloro-2-ethoxy-3,6-dimethylaniline

C10H14ClNO — CID 82266729

IUPAC5-chloro-2-ethoxy-3,6-dimethylaniline
SMILESCCOc1c(C)cc(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-4-13-10-6(2)5-8(11)7(3)9(10)12/h5H,4,12H2,1-3H3
InChIKeyIZUFEWDDTWOGMF-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.94
Rot. Bonds2

About 5-chloro-2-ethoxy-3,6-dimethylaniline

5-chloro-2-ethoxy-3,6-dimethylaniline (PubChem CID 82266729) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-3,6-dimethylaniline.

Molecular Properties

Compound Name5-chloro-2-ethoxy-3,6-dimethylaniline
PubChem CID82266729
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-chloro-2-ethoxy-3,6-dimethylaniline
SMILESCCOc1c(C)cc(Cl)c(C)c1N
InChIInChI=1S/C10H14ClNO/c1-4-13-10-6(2)5-8(11)7(3)9(10)12/h5H,4,12H2,1-3H3
InChIKeyIZUFEWDDTWOGMF-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-chloro-2-ethoxy-3,6-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-3,6-dimethylaniline?
The IUPAC name of 5-chloro-2-ethoxy-3,6-dimethylaniline (CID 82266729) is 5-chloro-2-ethoxy-3,6-dimethylaniline.
What is the SMILES notation for 5-chloro-2-ethoxy-3,6-dimethylaniline?
The canonical SMILES for 5-chloro-2-ethoxy-3,6-dimethylaniline is CCOc1c(C)cc(Cl)c(C)c1N.
What is the InChIKey of 5-chloro-2-ethoxy-3,6-dimethylaniline?
The InChIKey is IZUFEWDDTWOGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-4-13-10-6(2)5-8(11)7(3)9(10)12/h5H,4,12H2,1-3H3.
What are the key properties of 5-chloro-2-ethoxy-3,6-dimethylaniline?
5-chloro-2-ethoxy-3,6-dimethylaniline has a molecular weight of 199.68 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxy-3,6-dimethylaniline is sourced from PubChem (CID 82266729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).