1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol

C16H22BrNO2 — CID 11970958

IUPAC1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol
SMILESCCc1cc(Br)cc2cc(C(O)CNC(C)(C)C)oc12
InChIInChI=1S/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3
InChIKeyMXKMWLFIQAWNMD-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.18
Rot. Bonds4

About 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol

1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol (PubChem CID 11970958) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol
PubChem CID11970958
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol
SMILESCCc1cc(Br)cc2cc(C(O)CNC(C)(C)C)oc12
InChIInChI=1S/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3
InChIKeyMXKMWLFIQAWNMD-UHFFFAOYSA-N
XLogP4.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol?
The IUPAC name of 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol (CID 11970958) is 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol.
What is the SMILES notation for 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol?
The canonical SMILES for 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol is CCc1cc(Br)cc2cc(C(O)CNC(C)(C)C)oc12.
What is the InChIKey of 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol?
The InChIKey is MXKMWLFIQAWNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3.
What are the key properties of 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol?
1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol has a molecular weight of 340.26 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-ethyl-1-benzofuran-2-yl)-2-(tert-butylamino)ethanol is sourced from PubChem (CID 11970958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).