3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine

C17H18FNO — CID 68910300

IUPAC3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine
SMILESNCCCC1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-15-8-6-14(7-9-15)17(10-3-11-19)16-5-2-1-4-13(16)12-20-17/h1-2,4-9H,3,10-12,19H2
InChIKeyLYFRZPLNPIUIHI-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.34
Rot. Bonds4

About 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine

3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine (PubChem CID 68910300) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine
PubChem CID68910300
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine
SMILESNCCCC1(c2ccc(F)cc2)OCc2ccccc21
InChIInChI=1S/C17H18FNO/c18-15-8-6-14(7-9-15)17(10-3-11-19)16-5-2-1-4-13(16)12-20-17/h1-2,4-9H,3,10-12,19H2
InChIKeyLYFRZPLNPIUIHI-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine (CID 68910300) is 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine is NCCCC1(c2ccc(F)cc2)OCc2ccccc21.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine?
The InChIKey is LYFRZPLNPIUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c18-15-8-6-14(7-9-15)17(10-3-11-19)16-5-2-1-4-13(16)12-20-17/h1-2,4-9H,3,10-12,19H2.
What are the key properties of 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine?
3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine has a molecular weight of 271.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propan-1-amine is sourced from PubChem (CID 68910300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).