2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine

C11H14FNO2 — CID 117301446

IUPAC2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
SMILESCC(C)(N)c1cc2c(cc1F)COCO2
InChIInChI=1S/C11H14FNO2/c1-11(2,13)8-4-10-7(3-9(8)12)5-14-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyJXZVDZBUPJMBTF-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.89
Rot. Bonds1

About 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine

2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine (PubChem CID 117301446) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine.

Molecular Properties

Compound Name2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
PubChem CID117301446
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
SMILESCC(C)(N)c1cc2c(cc1F)COCO2
InChIInChI=1S/C11H14FNO2/c1-11(2,13)8-4-10-7(3-9(8)12)5-14-6-15-10/h3-4H,5-6,13H2,1-2H3
InChIKeyJXZVDZBUPJMBTF-UHFFFAOYSA-N
XLogP1.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296662
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117288231
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
2-(6-bromo-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117463067
O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117307236
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
3-(6-chloro-4H-1,3-benzodioxin-7-yl)-3-methylbutanoic acid
CID 117429709
O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117323140
6-fluoro-7-(1-isocyanatocyclopropyl)-4H-1,3-benzodioxine
CID 117341670

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine?
The IUPAC name of 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine (CID 117301446) is 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine.
What is the SMILES notation for 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine?
The canonical SMILES for 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine is CC(C)(N)c1cc2c(cc1F)COCO2.
What is the InChIKey of 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine?
The InChIKey is JXZVDZBUPJMBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-11(2,13)8-4-10-7(3-9(8)12)5-14-6-15-10/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine?
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine has a molecular weight of 211.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine is sourced from PubChem (CID 117301446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).