3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol

C13H16FNO2 — CID 114727140

IUPAC3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
SMILESCN(C)CCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO2/c1-15(2)6-5-11(16)13-8-9-7-10(14)3-4-12(9)17-13/h3-4,7-8,11,16H,5-6H2,1-2H3
InChIKeyMLTNUKVPNYBWSU-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.56
Rot. Bonds4

About 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol

3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol (PubChem CID 114727140) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
PubChem CID114727140
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
SMILESCN(C)CCC(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H16FNO2/c1-15(2)6-5-11(16)13-8-9-7-10(14)3-4-12(9)17-13/h3-4,7-8,11,16H,5-6H2,1-2H3
InChIKeyMLTNUKVPNYBWSU-UHFFFAOYSA-N
XLogP2.56
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
4-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)butan-1-ol
CID 105129637
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
CID 114727304
1-(2,4-difluorophenyl)-3-(dimethylamino)propan-1-ol
CID 83810140
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
1-(5-fluoro-1-benzofuran-2-yl)-2-(2-fluorophenyl)ethanol
CID 114726361
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanol
CID 114726295
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
CID 114727142

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol (CID 114727140) is 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol is CN(C)CCC(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is MLTNUKVPNYBWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(2)6-5-11(16)13-8-9-7-10(14)3-4-12(9)17-13/h3-4,7-8,11,16H,5-6H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol?
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 237.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 114727140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).