2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline

C15H15ClFNO2 — CID 58022058

IUPAC2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline
SMILESCOc1ccc(F)cc1C(C)Oc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-15(12)19-2)20-11-4-5-13(16)14(18)8-11/h3-9H,18H2,1-2H3
InChIKeyCSFZBCIPRJNCLD-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.21
Rot. Bonds4

About 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline

2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline (PubChem CID 58022058) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline
PubChem CID58022058
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline
SMILESCOc1ccc(F)cc1C(C)Oc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-15(12)19-2)20-11-4-5-13(16)14(18)8-11/h3-9H,18H2,1-2H3
InChIKeyCSFZBCIPRJNCLD-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline?
The IUPAC name of 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline (CID 58022058) is 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline.
What is the SMILES notation for 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline?
The canonical SMILES for 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline is COc1ccc(F)cc1C(C)Oc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline?
The InChIKey is CSFZBCIPRJNCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-9(12-7-10(17)3-6-15(12)19-2)20-11-4-5-13(16)14(18)8-11/h3-9H,18H2,1-2H3.
What are the key properties of 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline?
2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline has a molecular weight of 295.74 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(5-fluoro-2-methoxyphenyl)ethoxy]aniline is sourced from PubChem (CID 58022058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).