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

C16H17NO2 — CID 81350810

IUPAC3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESC[C@H](NC1COc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-11(12-5-3-2-4-6-12)17-15-10-19-16-9-13(18)7-8-14(15)16/h2-9,11,15,17-18H,10H2,1H3/t11-,15?/m0/s1
InChIKeyRIGKZPAEEFLVTI-VPHXOMNUSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds3

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

3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 81350810) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
PubChem CID81350810
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
SMILESC[C@H](NC1COc2cc(O)ccc21)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-11(12-5-3-2-4-6-12)17-15-10-19-16-9-13(18)7-8-14(15)16/h2-9,11,15,17-18H,10H2,1H3/t11-,15?/m0/s1
InChIKeyRIGKZPAEEFLVTI-VPHXOMNUSA-N
XLogP3.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 107862226
3-(1-thiophen-3-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62840280
3-(1-pyridin-2-ylethylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 43202630
3-[[(1S)-1-pyridin-2-ylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81402485
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-(1-methylsulfonylpropan-2-ylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 64630825
4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
CID 107715160
2-[(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 60931257

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol (CID 81350810) is 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol is C[C@H](NC1COc2cc(O)ccc21)c1ccccc1.
What is the InChIKey of 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is RIGKZPAEEFLVTI-VPHXOMNUSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11(12-5-3-2-4-6-12)17-15-10-19-16-9-13(18)7-8-14(15)16/h2-9,11,15,17-18H,10H2,1H3/t11-,15?/m0/s1.
What are the key properties of 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol?
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 255.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 81350810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).