3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline

C15H15F2NO2 — CID 63736549

IUPAC3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2C(F)F)cc1
InChIInChI=1S/C15H15F2NO2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(18)9-13(14)15(16)17/h3-9,15H,2,18H2,1H3
InChIKeySTUIQTFAIAVKDF-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.40
Rot. Bonds5

About 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline

3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline (PubChem CID 63736549) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
PubChem CID63736549
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline
SMILESCCOc1ccc(Oc2ccc(N)cc2C(F)F)cc1
InChIInChI=1S/C15H15F2NO2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(18)9-13(14)15(16)17/h3-9,15H,2,18H2,1H3
InChIKeySTUIQTFAIAVKDF-UHFFFAOYSA-N
XLogP4.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-4-(4-ethoxyphenoxy)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

4-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)aniline
CID 63735170
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-(4-ethoxyphenoxy)-3-propan-2-ylphenol
CID 21466412
3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
CID 63735666
3-(difluoromethyl)-4-pentan-2-yloxyaniline
CID 102980344
4-[4-amino-2-(difluoromethyl)phenoxy]-3,5-dimethylbenzonitrile
CID 65455245
3-(difluoromethyl)-4-(2-methylsulfanylphenoxy)aniline
CID 63735003
3-(difluoromethyl)-4-[2-(dimethylamino)-2-methylpropoxy]aniline
CID 79679193
3-(difluoromethyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587044
2-(4-ethoxyphenoxy)quinolin-6-amine
CID 43451038
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline?
The IUPAC name of 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline (CID 63736549) is 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline.
What is the SMILES notation for 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline?
The canonical SMILES for 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline is CCOc1ccc(Oc2ccc(N)cc2C(F)F)cc1.
What is the InChIKey of 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline?
The InChIKey is STUIQTFAIAVKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(18)9-13(14)15(16)17/h3-9,15H,2,18H2,1H3.
What are the key properties of 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline?
3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline has a molecular weight of 279.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(4-ethoxyphenoxy)aniline is sourced from PubChem (CID 63736549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).