3-(2,5-dimethylphenoxy)-5-ethoxyaniline

C16H19NO2 — CID 80748606

IUPAC3-(2,5-dimethylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C16H19NO2/c1-4-18-14-8-13(17)9-15(10-14)19-16-7-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3
InChIKeyWRQKUWSYSJTUFU-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.08
Rot. Bonds4

About 3-(2,5-dimethylphenoxy)-5-ethoxyaniline

3-(2,5-dimethylphenoxy)-5-ethoxyaniline (PubChem CID 80748606) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-5-ethoxyaniline
PubChem CID80748606
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(2,5-dimethylphenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C16H19NO2/c1-4-18-14-8-13(17)9-15(10-14)19-16-7-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3
InChIKeyWRQKUWSYSJTUFU-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
3,5-diethoxyaniline
CID 22605063
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
2-(3-ethoxyphenoxy)-4-methylaniline
CID 26189621
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-methylaniline
CID 67863452
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-5-ethoxyaniline?
The IUPAC name of 3-(2,5-dimethylphenoxy)-5-ethoxyaniline (CID 80748606) is 3-(2,5-dimethylphenoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-5-ethoxyaniline is CCOc1cc(N)cc(Oc2cc(C)ccc2C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-5-ethoxyaniline?
The InChIKey is WRQKUWSYSJTUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-4-18-14-8-13(17)9-15(10-14)19-16-7-11(2)5-6-12(16)3/h5-10H,4,17H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-5-ethoxyaniline?
3-(2,5-dimethylphenoxy)-5-ethoxyaniline has a molecular weight of 257.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-5-ethoxyaniline is sourced from PubChem (CID 80748606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).