3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline

C16H19NO4 — CID 80752576

IUPAC3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2c(OC)cccc2OC)c1
InChIInChI=1S/C16H19NO4/c1-4-20-12-8-11(17)9-13(10-12)21-16-14(18-2)6-5-7-15(16)19-3/h5-10H,4,17H2,1-3H3
InChIKeyNWYPLKHPJOYWNV-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.48
Rot. Bonds6

About 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline

3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline (PubChem CID 80752576) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
PubChem CID80752576
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2c(OC)cccc2OC)c1
InChIInChI=1S/C16H19NO4/c1-4-20-12-8-11(17)9-13(10-12)21-16-14(18-2)6-5-7-15(16)19-3/h5-10H,4,17H2,1-3H3
InChIKeyNWYPLKHPJOYWNV-UHFFFAOYSA-N
XLogP3.48
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
3,5-diethoxyaniline
CID 22605063
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2,6-dimethoxyphenoxy)-5-nitroaniline
CID 80865638
3-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline?
The IUPAC name of 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline (CID 80752576) is 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline is CCOc1cc(N)cc(Oc2c(OC)cccc2OC)c1.
What is the InChIKey of 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline?
The InChIKey is NWYPLKHPJOYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-4-20-12-8-11(17)9-13(10-12)21-16-14(18-2)6-5-7-15(16)19-3/h5-10H,4,17H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline?
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline has a molecular weight of 289.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline is sourced from PubChem (CID 80752576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).