3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol

C15H23NO3 — CID 106114611

IUPAC3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCC(CCO)CNC1COc2cc(O)ccc21
InChIInChI=1S/C15H23NO3/c1-2-3-11(6-7-17)9-16-14-10-19-15-8-12(18)4-5-13(14)15/h4-5,8,11,14,16-18H,2-3,6-7,9-10H2,1H3
InChIKeyUCAMYAMHSBDKBJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.21
Rot. Bonds7

About 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol

3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 106114611) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID106114611
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol
SMILESCCCC(CCO)CNC1COc2cc(O)ccc21
InChIInChI=1S/C15H23NO3/c1-2-3-11(6-7-17)9-16-14-10-19-15-8-12(18)4-5-13(14)15/h4-5,8,11,14,16-18H,2-3,6-7,9-10H2,1H3
InChIKeyUCAMYAMHSBDKBJ-UHFFFAOYSA-N
XLogP2.21
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylbutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62693908
3-(2-hydroxyethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43151123
3-(3-propoxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 82942372
methyl 2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]acetate
CID 43190825
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-(3-ethylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 114247835
3-(cyclobutylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43298363
3-(3-methylsulfanylpropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 63982077
3-(3-propan-2-yloxypropylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43207441
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
3-[(4-hydroxycyclohexyl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 106126397

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol (CID 106114611) is 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol is CCCC(CCO)CNC1COc2cc(O)ccc21.
What is the InChIKey of 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is UCAMYAMHSBDKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-3-11(6-7-17)9-16-14-10-19-15-8-12(18)4-5-13(14)15/h4-5,8,11,14,16-18H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol?
3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 265.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)pentylamino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 106114611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).