3-ethoxy-5-pyridin-3-yloxyaniline

C13H14N2O2 — CID 80748740

IUPAC3-ethoxy-5-pyridin-3-yloxyaniline
SMILESCCOc1cc(N)cc(Oc2cccnc2)c1
InChIInChI=1S/C13H14N2O2/c1-2-16-12-6-10(14)7-13(8-12)17-11-4-3-5-15-9-11/h3-9H,2,14H2,1H3
InChIKeyFGOCBWKCQPXWPY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds4

About 3-ethoxy-5-pyridin-3-yloxyaniline

3-ethoxy-5-pyridin-3-yloxyaniline (PubChem CID 80748740) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-ethoxy-5-pyridin-3-yloxyaniline.

Molecular Properties

Compound Name3-ethoxy-5-pyridin-3-yloxyaniline
PubChem CID80748740
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-ethoxy-5-pyridin-3-yloxyaniline
SMILESCCOc1cc(N)cc(Oc2cccnc2)c1
InChIInChI=1S/C13H14N2O2/c1-2-16-12-6-10(14)7-13(8-12)17-11-4-3-5-15-9-11/h3-9H,2,14H2,1H3
InChIKeyFGOCBWKCQPXWPY-UHFFFAOYSA-N
XLogP2.85
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-diethoxyaniline
CID 22605063
3-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
4-(3-amino-5-ethoxyphenoxy)benzamide
CID 80748930
3-(2-methoxyethoxy)-5-pyridin-3-yloxypyridine
CID 142784185
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
CID 118385972
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-pyridin-3-yloxyaniline?
The IUPAC name of 3-ethoxy-5-pyridin-3-yloxyaniline (CID 80748740) is 3-ethoxy-5-pyridin-3-yloxyaniline.
What is the SMILES notation for 3-ethoxy-5-pyridin-3-yloxyaniline?
The canonical SMILES for 3-ethoxy-5-pyridin-3-yloxyaniline is CCOc1cc(N)cc(Oc2cccnc2)c1.
What is the InChIKey of 3-ethoxy-5-pyridin-3-yloxyaniline?
The InChIKey is FGOCBWKCQPXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-2-16-12-6-10(14)7-13(8-12)17-11-4-3-5-15-9-11/h3-9H,2,14H2,1H3.
What are the key properties of 3-ethoxy-5-pyridin-3-yloxyaniline?
3-ethoxy-5-pyridin-3-yloxyaniline has a molecular weight of 230.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-pyridin-3-yloxyaniline is sourced from PubChem (CID 80748740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).