3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline

C15H16FNO2 — CID 102980299

IUPAC3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
SMILESCCOc1cc(N)cc(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C15H16FNO2/c1-3-18-13-7-12(17)8-14(9-13)19-15-6-11(16)5-4-10(15)2/h4-9H,3,17H2,1-2H3
InChIKeyIFKCIRIZGFJRMU-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.91
Rot. Bonds4

About 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline

3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline (PubChem CID 102980299) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
PubChem CID102980299
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline
SMILESCCOc1cc(N)cc(Oc2cc(F)ccc2C)c1
InChIInChI=1S/C15H16FNO2/c1-3-18-13-7-12(17)8-14(9-13)19-15-6-11(16)5-4-10(15)2/h4-9H,3,17H2,1-2H3
InChIKeyIFKCIRIZGFJRMU-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3,5-diethoxyaniline
CID 22605063
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
3-(2-tert-butylphenoxy)-5-ethoxyaniline
CID 80752966
3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
3-(2,6-dimethoxyphenoxy)-5-ethoxyaniline
CID 80752576
6-(5-fluoro-2-methylphenoxy)pyridin-3-amine
CID 102980228
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
3-(2-ethoxyphenoxy)-5-methoxyaniline
CID 80748914

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline?
The IUPAC name of 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline (CID 102980299) is 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline.
What is the SMILES notation for 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline?
The canonical SMILES for 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline is CCOc1cc(N)cc(Oc2cc(F)ccc2C)c1.
What is the InChIKey of 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline?
The InChIKey is IFKCIRIZGFJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-3-18-13-7-12(17)8-14(9-13)19-15-6-11(16)5-4-10(15)2/h4-9H,3,17H2,1-2H3.
What are the key properties of 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline?
3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline has a molecular weight of 261.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(5-fluoro-2-methylphenoxy)aniline is sourced from PubChem (CID 102980299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).