2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol

C15H21NO2 — CID 55081813

IUPAC2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cc2ccccc2o1
InChIInChI=1S/C15H21NO2/c1-3-15(4-2,11-17)16-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,16-17H,3-4,10-11H2,1-2H3
InChIKeyOICWTJDRJADYNQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds6

About 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol

2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol (PubChem CID 55081813) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
PubChem CID55081813
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1cc2ccccc2o1
InChIInChI=1S/C15H21NO2/c1-3-15(4-2,11-17)16-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,16-17H,3-4,10-11H2,1-2H3
InChIKeyOICWTJDRJADYNQ-UHFFFAOYSA-N
XLogP3.07
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-2-ylmethylamino)-2-phenylpropan-1-ol
CID 115630511
3-(1-benzofuran-2-ylmethylamino)-2-methylpropane-1,2-diol
CID 66168795
(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
2-[(5-chlorofuran-2-yl)methylamino]-2-ethylbutan-1-ol
CID 62517681
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
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N-(1-benzofuran-2-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451959
N-(1-benzofuran-2-ylmethyl)cyclopentanamine
CID 28610923
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-(1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 78966709
1-(1-benzofuran-2-ylmethylamino)-2,4-dimethylpentan-2-ol
CID 66178945
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
CID 156725408
CID 156725408

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol (CID 55081813) is 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol?
The InChIKey is OICWTJDRJADYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(4-2,11-17)16-10-13-9-12-7-5-6-8-14(12)18-13/h5-9,16-17H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol?
2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 55081813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).