3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol

C15H16N2O2 — CID 81402485

IUPAC3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESC[C@H](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/t10-,14?/m0/s1
InChIKeyWKNCJMNOYZMHTL-XLLULAGJSA-N
MW256.31 g/mol
LogP2.57
Rot. Bonds3

About 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol

3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 81402485) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID81402485
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESC[C@H](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/t10-,14?/m0/s1
InChIKeyWKNCJMNOYZMHTL-XLLULAGJSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol (CID 81402485) is 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol is C[C@H](NC1COc2cc(O)ccc21)c1ccccn1.
What is the InChIKey of 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is WKNCJMNOYZMHTL-XLLULAGJSA-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/t10-,14?/m0/s1.
What are the key properties of 3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[[(1S)-1-pyridin-2-ylethyl]amino]-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-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 81402485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).