1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine

C12H16FNO — CID 117298789

IUPAC1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)ccc2c1OCC2
InChIInChI=1S/C12H16FNO/c1-12(2,14)7-9-10(13)4-3-8-5-6-15-11(8)9/h3-4H,5-7,14H2,1-2H3
InChIKeyOZNBOHULBWDVCH-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.04
Rot. Bonds2

About 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine

1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine (PubChem CID 117298789) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine
PubChem CID117298789
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1c(F)ccc2c1OCC2
InChIInChI=1S/C12H16FNO/c1-12(2,14)7-9-10(13)4-3-8-5-6-15-11(8)9/h3-4H,5-7,14H2,1-2H3
InChIKeyOZNBOHULBWDVCH-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 117276567
2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
CID 117277411
(E)-3-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)prop-2-en-1-amine
CID 117283537
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
CID 117297394
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
1-(5-fluoro-1-benzofuran-4-yl)-2-methylpropan-2-amine
CID 117295897
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)cyclobutan-1-amine
CID 117295877
1-(7-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-2-amine
CID 117391135
7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817
6-(bromomethyl)-7-fluoro-2,3-dihydro-1-benzofuran
CID 171829628
(7-fluoro-2,3-dihydro-1-benzofuran-6-yl)boronic acid
CID 154669878

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine (CID 117298789) is 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1c(F)ccc2c1OCC2.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine?
The InChIKey is OZNBOHULBWDVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(2,14)7-9-10(13)4-3-8-5-6-15-11(8)9/h3-4H,5-7,14H2,1-2H3.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine?
1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine has a molecular weight of 209.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117298789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).