1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine

C16H14FNO — CID 114732154

IUPAC1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C16H14FNO/c1-10(18)11-6-7-14(17)13(8-11)16-9-12-4-2-3-5-15(12)19-16/h2-10H,18H2,1H3
InChIKeyGMPBDJWBFBAAJQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.26
Rot. Bonds2

About 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine

1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine (PubChem CID 114732154) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
PubChem CID114732154
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cc3ccccc3o2)c1
InChIInChI=1S/C16H14FNO/c1-10(18)11-6-7-14(17)13(8-11)16-9-12-4-2-3-5-15(12)19-16/h2-10H,18H2,1H3
InChIKeyGMPBDJWBFBAAJQ-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

1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472
1-[4-fluoro-3-(7-methyl-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732293
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
CID 82541956
N-[[3-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]cyclopropanamine
CID 114732131
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
1-naphthalen-2-ylethanamine
CID 3857145
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960
1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282279

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine (CID 114732154) is 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine is CC(N)c1ccc(F)c(-c2cc3ccccc3o2)c1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine?
The InChIKey is GMPBDJWBFBAAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10(18)11-6-7-14(17)13(8-11)16-9-12-4-2-3-5-15(12)19-16/h2-10H,18H2,1H3.
What are the key properties of 1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine?
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]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-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 114732154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).