1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine

C14H13ClFNO — CID 43189220

IUPAC1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3
InChIKeyGQDIPYCJULOGEH-UHFFFAOYSA-N
MW265.72 g/mol
LogP4.29
Rot. Bonds3

About 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine

1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine (PubChem CID 43189220) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
PubChem CID43189220
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNO/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3
InChIKeyGQDIPYCJULOGEH-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-[2-(2-chloro-4-methylphenoxy)-6-fluorophenyl]ethanamine
CID 62671655
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
CID 43188982

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine (CID 43189220) is 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1Oc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is GQDIPYCJULOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3.
What are the key properties of 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine?
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 265.72 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43189220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).