2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine

C10H12FNO2 — CID 83880038

IUPAC2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
SMILESNCCc1ccc(F)c2c1OCOC2
InChIInChI=1S/C10H12FNO2/c11-9-2-1-7(3-4-12)10-8(9)5-13-6-14-10/h1-2H,3-6,12H2
InChIKeyXMIPGTNNIOKMKZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.19
Rot. Bonds2

About 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine

2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine (PubChem CID 83880038) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
PubChem CID83880038
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine
SMILESNCCc1ccc(F)c2c1OCOC2
InChIInChI=1S/C10H12FNO2/c11-9-2-1-7(3-4-12)10-8(9)5-13-6-14-10/h1-2H,3-6,12H2
InChIKeyXMIPGTNNIOKMKZ-UHFFFAOYSA-N
XLogP1.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
2-amino-2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanol
CID 83886011
2-(8-fluoro-4H-1,3-benzodioxin-6-yl)ethanamine
CID 83880036
N-methyl-2-(5-methyl-4H-1,3-benzodioxin-8-yl)ethanamine
CID 83883249
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-1-amine
CID 117301355
2-(6-bromo-4H-1,3-benzodioxin-5-yl)ethanamine
CID 84709288
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117302756
4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753
3-(7-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 19611649
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457
1-[1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346754

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine?
The IUPAC name of 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine (CID 83880038) is 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine?
The canonical SMILES for 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine is NCCc1ccc(F)c2c1OCOC2.
What is the InChIKey of 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine?
The InChIKey is XMIPGTNNIOKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-2-1-7(3-4-12)10-8(9)5-13-6-14-10/h1-2H,3-6,12H2.
What are the key properties of 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine?
2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine has a molecular weight of 197.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4H-1,3-benzodioxin-8-yl)ethanamine is sourced from PubChem (CID 83880038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).