1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine

C12H16FNO — CID 117201926

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1COc2ccc(F)cc21
InChIInChI=1S/C12H16FNO/c1-8(14-2)5-9-7-15-12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3
InChIKeyXUBJHCMXSFJADZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.30
Rot. Bonds3

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine

1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine (PubChem CID 117201926) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
PubChem CID117201926
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)CC1COc2ccc(F)cc21
InChIInChI=1S/C12H16FNO/c1-8(14-2)5-9-7-15-12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3
InChIKeyXUBJHCMXSFJADZ-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine (CID 117201926) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine is CNC(C)CC1COc2ccc(F)cc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
The InChIKey is XUBJHCMXSFJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8(14-2)5-9-7-15-12-4-3-10(13)6-11(9)12/h3-4,6,8-9,14H,5,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine has a molecular weight of 209.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117201926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).