1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol

C17H24ClNO2 — CID 114726865

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO2/c1-5-17(4,19(6-2)7-3)16(20)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,20H,5-7H2,1-4H3
InChIKeyNPJOZUCTRBQODG-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.63
Rot. Bonds6

About 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol

1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol (PubChem CID 114726865) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
PubChem CID114726865
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C17H24ClNO2/c1-5-17(4,19(6-2)7-3)16(20)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,20H,5-7H2,1-4H3
InChIKeyNPJOZUCTRBQODG-UHFFFAOYSA-N
XLogP4.63
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
(5-chloro-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanol
CID 114723653
(5-chloro-1-benzofuran-2-yl)-(5-ethylfuran-2-yl)methanol
CID 114723599
5-chloro-2-(1-chlorobutyl)-1-benzofuran
CID 130480572
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenyl)ethanol
CID 114726287
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanol
CID 114723424
2-(diethylamino)-2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 79063813
4-(5-chloro-1-benzofuran-2-yl)-4-methylpentan-2-ol
CID 114733752
1-(5-chloro-1-benzofuran-2-yl)-2-propan-2-yloxyethanol
CID 105129479

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol (CID 114726865) is 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol?
The InChIKey is NPJOZUCTRBQODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-5-17(4,19(6-2)7-3)16(20)15-11-12-10-13(18)8-9-14(12)21-15/h8-11,16,20H,5-7H2,1-4H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol?
1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol has a molecular weight of 309.84 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-(diethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 114726865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).