4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol

C16H16FNO2 — CID 107715160

IUPAC4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
SMILESCC(NC1COc2ccccc21)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO2/c1-10(12-7-6-11(19)8-14(12)17)18-15-9-20-16-5-3-2-4-13(15)16/h2-8,10,15,18-19H,9H2,1H3
InChIKeyHLNNKDPPNNFYFT-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds3

About 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol

4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol (PubChem CID 107715160) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
PubChem CID107715160
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol
SMILESCC(NC1COc2ccccc21)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO2/c1-10(12-7-6-11(19)8-14(12)17)18-15-9-20-16-5-3-2-4-13(15)16/h2-8,10,15,18-19H,9H2,1H3
InChIKeyHLNNKDPPNNFYFT-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82962651
3-[1-(2,4-dimethylphenyl)ethylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 60945327
3-[[(1S)-1-phenylethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81350810
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81365402
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 79253595
(3R)-N-[(1S)-1-(4-methoxynaphthalen-1-yl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 97065372
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-fluoro-4-[1-[(3-methylcyclobutyl)amino]ethyl]phenol
CID 107715430
3-[[(1S)-1-(3-methylphenyl)ethyl]amino]-2,3-dihydro-1-benzofuran-6-ol
CID 81364279
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol?
The IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol (CID 107715160) is 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol.
What is the SMILES notation for 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol?
The canonical SMILES for 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol is CC(NC1COc2ccccc21)c1ccc(O)cc1F.
What is the InChIKey of 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol?
The InChIKey is HLNNKDPPNNFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10(12-7-6-11(19)8-14(12)17)18-15-9-20-16-5-3-2-4-13(15)16/h2-8,10,15,18-19H,9H2,1H3.
What are the key properties of 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol?
4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol has a molecular weight of 273.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1-benzofuran-3-ylamino)ethyl]-3-fluorophenol is sourced from PubChem (CID 107715160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).