3-(2-ethoxyphenoxy)-5-methoxyaniline

C15H17NO3 — CID 80748914

IUPAC3-(2-ethoxyphenoxy)-5-methoxyaniline
SMILESCCOc1ccccc1Oc1cc(N)cc(OC)c1
InChIInChI=1S/C15H17NO3/c1-3-18-14-6-4-5-7-15(14)19-13-9-11(16)8-12(10-13)17-2/h4-10H,3,16H2,1-2H3
InChIKeyXQOWXELGJCEIHJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.47
Rot. Bonds5

About 3-(2-ethoxyphenoxy)-5-methoxyaniline

3-(2-ethoxyphenoxy)-5-methoxyaniline (PubChem CID 80748914) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-5-methoxyaniline.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-5-methoxyaniline
PubChem CID80748914
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(2-ethoxyphenoxy)-5-methoxyaniline
SMILESCCOc1ccccc1Oc1cc(N)cc(OC)c1
InChIInChI=1S/C15H17NO3/c1-3-18-14-6-4-5-7-15(14)19-13-9-11(16)8-12(10-13)17-2/h4-10H,3,16H2,1-2H3
InChIKeyXQOWXELGJCEIHJ-UHFFFAOYSA-N
XLogP3.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.47
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-(3-ethoxyphenoxy)-5-methoxyaniline
CID 80748304
3-methoxy-5-naphthalen-1-yloxyaniline
CID 80748267
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
2-(3-amino-5-methoxyphenoxy)benzamide
CID 80747937
3,5-diethoxyaniline
CID 22605063
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
3-methoxy-5-phenylmethoxyaniline
CID 12658785

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-5-methoxyaniline?
The IUPAC name of 3-(2-ethoxyphenoxy)-5-methoxyaniline (CID 80748914) is 3-(2-ethoxyphenoxy)-5-methoxyaniline.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-5-methoxyaniline?
The canonical SMILES for 3-(2-ethoxyphenoxy)-5-methoxyaniline is CCOc1ccccc1Oc1cc(N)cc(OC)c1.
What is the InChIKey of 3-(2-ethoxyphenoxy)-5-methoxyaniline?
The InChIKey is XQOWXELGJCEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-14-6-4-5-7-15(14)19-13-9-11(16)8-12(10-13)17-2/h4-10H,3,16H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenoxy)-5-methoxyaniline?
3-(2-ethoxyphenoxy)-5-methoxyaniline has a molecular weight of 259.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-5-methoxyaniline is sourced from PubChem (CID 80748914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).