2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol

C17H24FNO2 — CID 114726861

IUPAC2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H24FNO2/c1-5-17(4,19(6-2)7-3)16(20)14-11-12-9-8-10-13(18)15(12)21-14/h8-11,16,20H,5-7H2,1-4H3
InChIKeyJKMCRHKXBQHRKZ-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.12
Rot. Bonds6

About 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol

2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol (PubChem CID 114726861) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
PubChem CID114726861
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H24FNO2/c1-5-17(4,19(6-2)7-3)16(20)14-11-12-9-8-10-13(18)15(12)21-14/h8-11,16,20H,5-7H2,1-4H3
InChIKeyJKMCRHKXBQHRKZ-UHFFFAOYSA-N
XLogP4.12
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(2,6-difluorophenyl)-2-methylbutan-1-ol
CID 79064375
1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
CID 114726865
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol (CID 114726861) is 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol?
The InChIKey is JKMCRHKXBQHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-5-17(4,19(6-2)7-3)16(20)14-11-12-9-8-10-13(18)15(12)21-14/h8-11,16,20H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol?
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol has a molecular weight of 293.38 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 114726861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).