3-ethoxy-5-(2-ethylphenoxy)aniline

C16H19NO2 — CID 80747947

IUPAC3-ethoxy-5-(2-ethylphenoxy)aniline
SMILESCCOc1cc(N)cc(Oc2ccccc2CC)c1
InChIInChI=1S/C16H19NO2/c1-3-12-7-5-6-8-16(12)19-15-10-13(17)9-14(11-15)18-4-2/h5-11H,3-4,17H2,1-2H3
InChIKeyKYXUUPQCTFHBGV-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.02
Rot. Bonds5

About 3-ethoxy-5-(2-ethylphenoxy)aniline

3-ethoxy-5-(2-ethylphenoxy)aniline (PubChem CID 80747947) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-ethoxy-5-(2-ethylphenoxy)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(2-ethylphenoxy)aniline
PubChem CID80747947
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-ethoxy-5-(2-ethylphenoxy)aniline
SMILESCCOc1cc(N)cc(Oc2ccccc2CC)c1
InChIInChI=1S/C16H19NO2/c1-3-12-7-5-6-8-16(12)19-15-10-13(17)9-14(11-15)18-4-2/h5-11H,3-4,17H2,1-2H3
InChIKeyKYXUUPQCTFHBGV-UHFFFAOYSA-N
XLogP4.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.02
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-(2-ethylphenoxy)-5-methylaniline
CID 112648419
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2-ethylphenoxy)-5-(trifluoromethyl)aniline
CID 82995697
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
3,5-diethoxyaniline
CID 22605063
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
2-[2-(3-amino-5-propoxyphenoxy)phenyl]ethanol
CID 107712095
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
CID 102980299
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-(2,4-dibromophenoxy)-5-ethoxyaniline
CID 80747735

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(2-ethylphenoxy)aniline?
The IUPAC name of 3-ethoxy-5-(2-ethylphenoxy)aniline (CID 80747947) is 3-ethoxy-5-(2-ethylphenoxy)aniline.
What is the SMILES notation for 3-ethoxy-5-(2-ethylphenoxy)aniline?
The canonical SMILES for 3-ethoxy-5-(2-ethylphenoxy)aniline is CCOc1cc(N)cc(Oc2ccccc2CC)c1.
What is the InChIKey of 3-ethoxy-5-(2-ethylphenoxy)aniline?
The InChIKey is KYXUUPQCTFHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-12-7-5-6-8-16(12)19-15-10-13(17)9-14(11-15)18-4-2/h5-11H,3-4,17H2,1-2H3.
What are the key properties of 3-ethoxy-5-(2-ethylphenoxy)aniline?
3-ethoxy-5-(2-ethylphenoxy)aniline has a molecular weight of 257.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(2-ethylphenoxy)aniline is sourced from PubChem (CID 80747947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).