2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol

C16H23NO2 — CID 102676649

IUPAC2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
SMILESOCCN(CCc1ccc2c(c1)CCO2)C1CCC1
InChIInChI=1S/C16H23NO2/c18-10-9-17(15-2-1-3-15)8-6-13-4-5-16-14(12-13)7-11-19-16/h4-5,12,15,18H,1-3,6-11H2
InChIKeyCTUQBWYKMMHYQH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.01
Rot. Bonds6

About 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol

2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol (PubChem CID 102676649) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
PubChem CID102676649
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
SMILESOCCN(CCc1ccc2c(c1)CCO2)C1CCC1
InChIInChI=1S/C16H23NO2/c18-10-9-17(15-2-1-3-15)8-6-13-4-5-16-14(12-13)7-11-19-16/h4-5,12,15,18H,1-3,6-11H2
InChIKeyCTUQBWYKMMHYQH-UHFFFAOYSA-N
XLogP2.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol
CID 65445174
4-[cyclopropyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]butan-1-ol
CID 111488244
N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 65445563
2-[cyclopentyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]acetonitrile
CID 65446365
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-methoxyethyl)amino]ethanol
CID 115665475
4-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79117319
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol (CID 102676649) is 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol is OCCN(CCc1ccc2c(c1)CCO2)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol?
The InChIKey is CTUQBWYKMMHYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-10-9-17(15-2-1-3-15)8-6-13-4-5-16-14(12-13)7-11-19-16/h4-5,12,15,18H,1-3,6-11H2.
What are the key properties of 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol?
2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol has a molecular weight of 261.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]amino]ethanol is sourced from PubChem (CID 102676649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).