1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine

C15H14FNO3 — CID 43188982

IUPAC1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14FNO3/c1-9(17)15-11(16)3-2-4-13(15)20-10-5-6-12-14(7-10)19-8-18-12/h2-7,9H,8,17H2,1H3
InChIKeyOQHBONDDTJSWQJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.37
Rot. Bonds3

About 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine

1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine (PubChem CID 43188982) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
PubChem CID43188982
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14FNO3/c1-9(17)15-11(16)3-2-4-13(15)20-10-5-6-12-14(7-10)19-8-18-12/h2-7,9H,8,17H2,1H3
InChIKeyOQHBONDDTJSWQJ-UHFFFAOYSA-N
XLogP3.37
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
(1R)-1-[2-(3,4-dichlorophenoxy)-6-fluorophenyl]ethanamine
CID 63369876
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
(1R)-1-[4-(1,3-benzodioxol-5-yloxy)-3-bromophenyl]ethanamine
CID 78937691
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[2-fluoro-6-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986975
1-[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]-N-methylethanamine
CID 43284922
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
[2-(1,3-benzodioxol-5-yloxy)-5-fluorophenyl]methanamine
CID 43314084

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine (CID 43188982) is 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine?
The InChIKey is OQHBONDDTJSWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9(17)15-11(16)3-2-4-13(15)20-10-5-6-12-14(7-10)19-8-18-12/h2-7,9H,8,17H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine?
1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine has a molecular weight of 275.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yloxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 43188982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).