2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline

C16H17ClFNO2 — CID 63591823

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2c(C)cc(Cl)cc2C)c(N)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-4-20-14-8-15(13(19)7-12(14)18)21-16-9(2)5-11(17)6-10(16)3/h5-8H,4,19H2,1-3H3
InChIKeyWFUUKJQHFYEEDY-UHFFFAOYSA-N
MW309.77 g/mol
LogP4.87
Rot. Bonds4

About 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline

2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline (PubChem CID 63591823) has the molecular formula C16H17ClFNO2 and a molecular weight of 309.77 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
PubChem CID63591823
Molecular FormulaC16H17ClFNO2
Molecular Weight309.77 g/mol
Exact Mass309.09
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2c(C)cc(Cl)cc2C)c(N)cc1F
InChIInChI=1S/C16H17ClFNO2/c1-4-20-14-8-15(13(19)7-12(14)18)21-16-9(2)5-11(17)6-10(16)3/h5-8H,4,19H2,1-3H3
InChIKeyWFUUKJQHFYEEDY-UHFFFAOYSA-N
XLogP4.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
1-ethoxy-2,5-difluoro-4-methylbenzene
CID 58718803
[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
CID 63593072
4-bromo-2-(4-chloro-2,6-dimethylphenoxy)aniline
CID 65342585

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline (CID 63591823) is 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline is CCOc1cc(Oc2c(C)cc(Cl)cc2C)c(N)cc1F.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline?
The InChIKey is WFUUKJQHFYEEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO2/c1-4-20-14-8-15(13(19)7-12(14)18)21-16-9(2)5-11(17)6-10(16)3/h5-8H,4,19H2,1-3H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline?
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline has a molecular weight of 309.77 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63591823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).