3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol

C14H18BrNO2 — CID 65036942

IUPAC3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H18BrNO2/c1-9(8-17)7-16-10(2)14-6-11-5-12(15)3-4-13(11)18-14/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyJXOYCQLLUWPUSN-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.47
Rot. Bonds5

About 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol

3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol (PubChem CID 65036942) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
PubChem CID65036942
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H18BrNO2/c1-9(8-17)7-16-10(2)14-6-11-5-12(15)3-4-13(11)18-14/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyJXOYCQLLUWPUSN-UHFFFAOYSA-N
XLogP3.47
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2,2-diethoxyethanamine
CID 79538274
1-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43104320
2-bromo-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 113464991
1-(5-bromo-1-benzofuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62055857
1-(5-bromo-1-benzofuran-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 43371437
1-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103921443
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
(3R)-3-[[[(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl]amino]methyl]oxolan-3-ol
CID 99820700
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780
1-(5-bromo-1-benzofuran-2-yl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 103082635
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol (CID 65036942) is 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol is CC(CO)CNC(C)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is JXOYCQLLUWPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9(8-17)7-16-10(2)14-6-11-5-12(15)3-4-13(11)18-14/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol?
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 312.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 65036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).