3-(3-ethoxyphenoxy)-5-methoxyaniline

C15H17NO3 — CID 80748304

IUPAC3-(3-ethoxyphenoxy)-5-methoxyaniline
SMILESCCOc1cccc(Oc2cc(N)cc(OC)c2)c1
InChIInChI=1S/C15H17NO3/c1-3-18-12-5-4-6-13(9-12)19-15-8-11(16)7-14(10-15)17-2/h4-10H,3,16H2,1-2H3
InChIKeyJHISSKJXIDAEPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.47
Rot. Bonds5

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

3-(3-ethoxyphenoxy)-5-methoxyaniline (PubChem CID 80748304) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-5-methoxyaniline.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-5-methoxyaniline
PubChem CID80748304
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-(3-ethoxyphenoxy)-5-methoxyaniline
SMILESCCOc1cccc(Oc2cc(N)cc(OC)c2)c1
InChIInChI=1S/C15H17NO3/c1-3-18-12-5-4-6-13(9-12)19-15-8-11(16)7-14(10-15)17-2/h4-10H,3,16H2,1-2H3
InChIKeyJHISSKJXIDAEPQ-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-chlorophenoxy)-5-methoxyaniline
CID 80748712
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
3,5-diethoxyaniline
CID 22605063
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-methoxy-5-(4-propylphenoxy)aniline
CID 80749252
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-5-methoxyaniline?
The IUPAC name of 3-(3-ethoxyphenoxy)-5-methoxyaniline (CID 80748304) is 3-(3-ethoxyphenoxy)-5-methoxyaniline.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-5-methoxyaniline?
The canonical SMILES for 3-(3-ethoxyphenoxy)-5-methoxyaniline is CCOc1cccc(Oc2cc(N)cc(OC)c2)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)-5-methoxyaniline?
The InChIKey is JHISSKJXIDAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-18-12-5-4-6-13(9-12)19-15-8-11(16)7-14(10-15)17-2/h4-10H,3,16H2,1-2H3.
What are the key properties of 3-(3-ethoxyphenoxy)-5-methoxyaniline?
3-(3-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-(3-ethoxyphenoxy)-5-methoxyaniline is sourced from PubChem (CID 80748304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).