5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline

C14H13BrFNO2 — CID 66111157

IUPAC5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
SMILESCCOc1ccc(Oc2cc(F)c(Br)cc2N)cc1
InChIInChI=1S/C14H13BrFNO2/c1-2-18-9-3-5-10(6-4-9)19-14-8-12(16)11(15)7-13(14)17/h3-8H,2,17H2,1H3
InChIKeyRBWDHPCQUPBJBG-UHFFFAOYSA-N
MW326.17 g/mol
LogP4.36
Rot. Bonds4

About 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline

5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline (PubChem CID 66111157) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
PubChem CID66111157
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline
SMILESCCOc1ccc(Oc2cc(F)c(Br)cc2N)cc1
InChIInChI=1S/C14H13BrFNO2/c1-2-18-9-3-5-10(6-4-9)19-14-8-12(16)11(15)7-13(14)17/h3-8H,2,17H2,1H3
InChIKeyRBWDHPCQUPBJBG-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 54.36
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-(4-ethoxyphenoxy)-5-fluoroaniline
CID 19627143
4-bromo-2-(4-butylphenoxy)-5-fluoroaniline
CID 116736553
2-(4-ethoxyphenoxy)-4-methylaniline
CID 26189599
5-bromo-2-(3-tert-butylphenoxy)-4-fluoroaniline
CID 66111747
4-bromo-2-(4-chloro-3-ethylphenoxy)-5-fluoroaniline
CID 116736483
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-fluoroaniline
CID 116800312
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
5-bromo-2-(3-bromo-5-fluorophenoxy)-4-fluoroaniline
CID 81322372
5-bromo-2-(2-bromophenoxy)-4-fluoroaniline
CID 66112531
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
5-bromo-4-fluoro-2-pentan-3-yloxyaniline
CID 103482882

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline (CID 66111157) is 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline is CCOc1ccc(Oc2cc(F)c(Br)cc2N)cc1.
What is the InChIKey of 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline?
The InChIKey is RBWDHPCQUPBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-2-18-9-3-5-10(6-4-9)19-14-8-12(16)11(15)7-13(14)17/h3-8H,2,17H2,1H3.
What are the key properties of 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline?
5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline has a molecular weight of 326.17 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxyphenoxy)-4-fluoroaniline is sourced from PubChem (CID 66111157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).