4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol

C15H14FNO2 — CID 56709774

IUPAC4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol
SMILESNCC1Cc2cccc(-c3ccc(O)c(F)c3)c2O1
InChIInChI=1S/C15H14FNO2/c16-13-7-9(4-5-14(13)18)12-3-1-2-10-6-11(8-17)19-15(10)12/h1-5,7,11,18H,6,8,17H2
InChIKeyPJXUGFUXJVALIM-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.46
Rot. Bonds2

About 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol

4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol (PubChem CID 56709774) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol
PubChem CID56709774
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol
SMILESNCC1Cc2cccc(-c3ccc(O)c(F)c3)c2O1
InChIInChI=1S/C15H14FNO2/c16-13-7-9(4-5-14(13)18)12-3-1-2-10-6-11(8-17)19-15(10)12/h1-5,7,11,18H,6,8,17H2
InChIKeyPJXUGFUXJVALIM-UHFFFAOYSA-N
XLogP2.46
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol?
The IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol (CID 56709774) is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol.
What is the SMILES notation for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol?
The canonical SMILES for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol is NCC1Cc2cccc(-c3ccc(O)c(F)c3)c2O1.
What is the InChIKey of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol?
The InChIKey is PJXUGFUXJVALIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-7-9(4-5-14(13)18)12-3-1-2-10-6-11(8-17)19-15(10)12/h1-5,7,11,18H,6,8,17H2.
What are the key properties of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol?
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol has a molecular weight of 259.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-fluorophenol is sourced from PubChem (CID 56709774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).