3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine

C11H14FNO2 — CID 117301355

IUPAC3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine
SMILESNCCCc1ccc(F)c2c1OCCO2
InChIInChI=1S/C11H14FNO2/c12-9-4-3-8(2-1-5-13)10-11(9)15-7-6-14-10/h3-4H,1-2,5-7,13H2
InChIKeyZUVDRXCNJCXYOV-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.49
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine (PubChem CID 117301355) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine
PubChem CID117301355
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine
SMILESNCCCc1ccc(F)c2c1OCCO2
InChIInChI=1S/C11H14FNO2/c12-9-4-3-8(2-1-5-13)10-11(9)15-7-6-14-10/h3-4H,1-2,5-7,13H2
InChIKeyZUVDRXCNJCXYOV-UHFFFAOYSA-N
XLogP1.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
9-(4-aminobutyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carbaldehyde
CID 117376028
3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117356326
4-[7-(fluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]butan-1-amine
CID 117350963
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
3-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117329952
[1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)cyclobutyl]methanamine
CID 117346634
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83880038
3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 117303834
(5-bromo-2,3-dihydro-1,4-benzodioxin-8-yl)methanamine
CID 117361687

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine (CID 117301355) is 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine is NCCCc1ccc(F)c2c1OCCO2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine?
The InChIKey is ZUVDRXCNJCXYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-4-3-8(2-1-5-13)10-11(9)15-7-6-14-10/h3-4H,1-2,5-7,13H2.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine?
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine has a molecular weight of 211.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine is sourced from PubChem (CID 117301355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).