2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline

C14H13ClFNO — CID 58022016

IUPAC2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline
SMILESCC(Oc1ccc(Cl)c(N)c1)c1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c1-9(10-3-2-4-11(16)7-10)18-12-5-6-13(15)14(17)8-12/h2-9H,17H2,1H3
InChIKeyVNTHXWRXHDGJFP-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline

2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline (PubChem CID 58022016) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline
PubChem CID58022016
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline
SMILESCC(Oc1ccc(Cl)c(N)c1)c1cccc(F)c1
InChIInChI=1S/C14H13ClFNO/c1-9(10-3-2-4-11(16)7-10)18-12-5-6-13(15)14(17)8-12/h2-9H,17H2,1H3
InChIKeyVNTHXWRXHDGJFP-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-fluorophenyl)ethoxy]aniline?
The IUPAC name of 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline (CID 58022016) is 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline.
What is the SMILES notation for 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline?
The canonical SMILES for 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline is CC(Oc1ccc(Cl)c(N)c1)c1cccc(F)c1.
What is the InChIKey of 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline?
The InChIKey is VNTHXWRXHDGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(10-3-2-4-11(16)7-10)18-12-5-6-13(15)14(17)8-12/h2-9H,17H2,1H3.
What are the key properties of 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline?
2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline has a molecular weight of 265.72 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(3-fluorophenyl)ethoxy]aniline is sourced from PubChem (CID 58022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).