4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline

C14H13ClFNO2 — CID 63676750

IUPAC4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H13ClFNO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(16)7-11(13)15/h3-8H,2,17H2,1H3
InChIKeyHPRUCGBOQUWKGM-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.25
Rot. Bonds4

About 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline

4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline (PubChem CID 63676750) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
PubChem CID63676750
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(F)cc2Cl)ccc1N
InChIInChI=1S/C14H13ClFNO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(16)7-11(13)15/h3-8H,2,17H2,1H3
InChIKeyHPRUCGBOQUWKGM-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.25
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-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
ethyl 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
2-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
4-(3-chloro-2-fluorophenoxy)-2-propoxyaniline
CID 116688595
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
3-(2-chloro-4-fluorophenoxy)-5-methylaniline
CID 112648439
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline (CID 63676750) is 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline is CCOc1cc(Oc2ccc(F)cc2Cl)ccc1N.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline?
The InChIKey is HPRUCGBOQUWKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-2-18-14-8-10(4-5-12(14)17)19-13-6-3-9(16)7-11(13)15/h3-8H,2,17H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline?
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline has a molecular weight of 281.71 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline is sourced from PubChem (CID 63676750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).