2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol

C15H20BrNO2 — CID 102679435

IUPAC2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1cc(Br)cc2c1OCC2)C1CCC1
InChIInChI=1S/C15H20BrNO2/c16-13-8-11-4-7-19-15(11)12(9-13)10-17(5-6-18)14-2-1-3-14/h8-9,14,18H,1-7,10H2
InChIKeyOHAZCPTXGBUJOH-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.73
Rot. Bonds5

About 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol

2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol (PubChem CID 102679435) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
PubChem CID102679435
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol
SMILESOCCN(Cc1cc(Br)cc2c1OCC2)C1CCC1
InChIInChI=1S/C15H20BrNO2/c16-13-8-11-4-7-19-15(11)12(9-13)10-17(5-6-18)14-2-1-3-14/h8-9,14,18H,1-7,10H2
InChIKeyOHAZCPTXGBUJOH-UHFFFAOYSA-N
XLogP2.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 115796953
[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methylamino]cyclopentyl]methanol
CID 104756185
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-cycloheptylmethanamine
CID 104702152
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 104702727
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-cyclobutylethanol
CID 103165529
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-cyclohexylbutan-2-one
CID 115796653
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 102676649
1-(1-aminocyclobutyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116598634
1-(azepan-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116582740

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol (CID 102679435) is 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol is OCCN(Cc1cc(Br)cc2c1OCC2)C1CCC1.
What is the InChIKey of 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol?
The InChIKey is OHAZCPTXGBUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c16-13-8-11-4-7-19-15(11)12(9-13)10-17(5-6-18)14-2-1-3-14/h8-9,14,18H,1-7,10H2.
What are the key properties of 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol?
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol has a molecular weight of 326.23 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl-cyclobutylamino]ethanol is sourced from PubChem (CID 102679435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).