3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol

C15H16N2O2 — CID 43202630

IUPAC3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(NC1COc2cc(O)ccc21)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10(13-4-2-3-7-16-13)17-14-9-19-15-8-11(18)5-6-12(14)15/h2-8,10,14,17-18H,9H2,1H3
InChIKeyWKNCJMNOYZMHTL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.57
Rot. Bonds3

About 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol

3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43202630) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43202630
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCC(NC1COc2cc(O)ccc21)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-10(13-4-2-3-7-16-13)17-14-9-19-15-8-11(18)5-6-12(14)15/h2-8,10,14,17-18H,9H2,1H3
InChIKeyWKNCJMNOYZMHTL-UHFFFAOYSA-N
XLogP2.57
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81402485
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
3-[1-(5-methylthiophen-2-yl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 61473460
3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60945327
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
3-(1-methylsulfonylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64630825
3-(1H-imidazol-2-ylmethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64548395
N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81301992
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
tert-butyl N-[2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]propyl]carbamate
CID 107248143

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol (CID 43202630) is 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol is CC(NC1COc2cc(O)ccc21)c1ccccn1.
What is the InChIKey of 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is WKNCJMNOYZMHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(13-4-2-3-7-16-13)17-14-9-19-15-8-11(18)5-6-12(14)15/h2-8,10,14,17-18H,9H2,1H3.
What are the key properties of 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol?
3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 256.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43202630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).