2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine

C11H14FNO2 — CID 10512677

IUPAC2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine
SMILESNCCOc1cc(F)cc2c1OCCC2
InChIInChI=1S/C11H14FNO2/c12-9-6-8-2-1-4-15-11(8)10(7-9)14-5-3-13/h6-7H,1-5,13H2
InChIKeyQHPCUVXBWOQMGO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.49
Rot. Bonds3

About 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine

2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine (PubChem CID 10512677) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine
PubChem CID10512677
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine
SMILESNCCOc1cc(F)cc2c1OCCC2
InChIInChI=1S/C11H14FNO2/c12-9-6-8-2-1-4-15-11(8)10(7-9)14-5-3-13/h6-7H,1-5,13H2
InChIKeyQHPCUVXBWOQMGO-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine?
The IUPAC name of 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine (CID 10512677) is 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine.
What is the SMILES notation for 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine?
The canonical SMILES for 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine is NCCOc1cc(F)cc2c1OCCC2.
What is the InChIKey of 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine?
The InChIKey is QHPCUVXBWOQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-6-8-2-1-4-15-11(8)10(7-9)14-5-3-13/h6-7H,1-5,13H2.
What are the key properties of 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine?
2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine 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 2-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)oxy]ethanamine is sourced from PubChem (CID 10512677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).