1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine

C16H14FNO — CID 114731929

IUPAC1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H14FNO/c1-10(18)11-3-2-4-12(7-11)16-9-13-8-14(17)5-6-15(13)19-16/h2-10H,18H2,1H3
InChIKeyQGOGOXXDUQARBB-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.26
Rot. Bonds2

About 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine

1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (PubChem CID 114731929) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
PubChem CID114731929
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
SMILESCC(N)c1cccc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C16H14FNO/c1-10(18)11-3-2-4-12(7-11)16-9-13-8-14(17)5-6-15(13)19-16/h2-10H,18H2,1H3
InChIKeyQGOGOXXDUQARBB-UHFFFAOYSA-N
XLogP4.26
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
CID 114732415
1-[3-(4-fluorophenyl)phenyl]ethanamine
CID 61026318
1-[3-(3,5-difluorophenyl)phenyl]ethanamine
CID 54911738
1-[3-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 54910225
1-[3-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911563
N-methyl-1-[3-(5-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732246
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
[(5-fluoro-1-benzofuran-2-yl)-(3-fluorophenyl)methyl]hydrazine
CID 105193194
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
CID 114732428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine (CID 114731929) is 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is CC(N)c1cccc(-c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
The InChIKey is QGOGOXXDUQARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10(18)11-3-2-4-12(7-11)16-9-13-8-14(17)5-6-15(13)19-16/h2-10H,18H2,1H3.
What are the key properties of 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine?
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine has a molecular weight of 255.29 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine is sourced from PubChem (CID 114731929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).