2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline

C14H12Cl2FNO2 — CID 63593248

IUPAC2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2ccc(Cl)cc2Cl)c(N)cc1F
InChIInChI=1S/C14H12Cl2FNO2/c1-2-19-13-7-14(11(18)6-10(13)17)20-12-4-3-8(15)5-9(12)16/h3-7H,2,18H2,1H3
InChIKeyFVWWPCWJFBGBNV-UHFFFAOYSA-N
MW316.16 g/mol
LogP4.91
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline

2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline (PubChem CID 63593248) has the molecular formula C14H12Cl2FNO2 and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
PubChem CID63593248
Molecular FormulaC14H12Cl2FNO2
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
SMILESCCOc1cc(Oc2ccc(Cl)cc2Cl)c(N)cc1F
InChIInChI=1S/C14H12Cl2FNO2/c1-2-19-13-7-14(11(18)6-10(13)17)20-12-4-3-8(15)5-9(12)16/h3-7H,2,18H2,1H3
InChIKeyFVWWPCWJFBGBNV-UHFFFAOYSA-N
XLogP4.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 54.91
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

4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
CID 63591823
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
CID 63593249
4-(2-ethoxyphenoxy)-5-fluoro-2-methoxyaniline
CID 107259770
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222
[3-(2-amino-5-ethoxy-4-fluorophenoxy)phenyl]methanol
CID 63593072
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
2-(2-chloro-5-methylphenoxy)-5-fluoro-4-methoxyaniline
CID 63598602
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline?
The IUPAC name of 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline (CID 63593248) is 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline is CCOc1cc(Oc2ccc(Cl)cc2Cl)c(N)cc1F.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline?
The InChIKey is FVWWPCWJFBGBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2/c1-2-19-13-7-14(11(18)6-10(13)17)20-12-4-3-8(15)5-9(12)16/h3-7H,2,18H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline?
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline has a molecular weight of 316.16 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline is sourced from PubChem (CID 63593248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).