3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol

C18H18FNO2 — CID 143318508

IUPAC3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol
SMILESCNCCc1cc2cc(F)cc(-c3cc(O)ccc3C)c2o1
InChIInChI=1S/C18H18FNO2/c1-11-3-4-14(21)10-16(11)17-9-13(19)7-12-8-15(5-6-20-2)22-18(12)17/h3-4,7-10,20-21H,5-6H2,1-2H3
InChIKeyFNSPXVOYLXBGMY-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.01
Rot. Bonds4

About 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol

3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol (PubChem CID 143318508) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol.

Molecular Properties

Compound Name3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol
PubChem CID143318508
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol
SMILESCNCCc1cc2cc(F)cc(-c3cc(O)ccc3C)c2o1
InChIInChI=1S/C18H18FNO2/c1-11-3-4-14(21)10-16(11)17-9-13(19)7-12-8-15(5-6-20-2)22-18(12)17/h3-4,7-10,20-21H,5-6H2,1-2H3
InChIKeyFNSPXVOYLXBGMY-UHFFFAOYSA-N
XLogP4.01
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methyl-1-benzofuran-7-yl)benzene-1,3-diol
CID 143318510
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-(6-ethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 126619868
2-[2-(methylamino)ethyl]-1-benzofuran-4-ol
CID 117194545
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
3-[4-[[2-(2-acetamidoethyl)-5-fluoro-1-benzofuran-7-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 90417921
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
3-(2,4-diaminophenyl)-4-methylphenol
CID 22061973
6-fluoro-3-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659094
ethane;1-[4-(5-fluoro-7-methyl-1-benzofuran-2-yl)phenyl]-N-methylmethanamine
CID 156861552
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol?
The IUPAC name of 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol (CID 143318508) is 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol.
What is the SMILES notation for 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol?
The canonical SMILES for 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol is CNCCc1cc2cc(F)cc(-c3cc(O)ccc3C)c2o1.
What is the InChIKey of 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol?
The InChIKey is FNSPXVOYLXBGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-11-3-4-14(21)10-16(11)17-9-13(19)7-12-8-15(5-6-20-2)22-18(12)17/h3-4,7-10,20-21H,5-6H2,1-2H3.
What are the key properties of 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol?
3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol has a molecular weight of 299.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-[2-(methylamino)ethyl]-1-benzofuran-7-yl]-4-methylphenol is sourced from PubChem (CID 143318508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).