3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

C25H26FNO — CID 46914190

IUPAC3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H26FNO/c1-27(2)17-7-16-25(20-12-14-21(26)15-13-20)24-11-6-10-22(23(24)18-28-25)19-8-4-3-5-9-19/h3-6,8-15H,7,16-18H2,1-2H3
InChIKeyWZFRILPOLZMIQF-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.61
Rot. Bonds6

About 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 46914190) has the molecular formula C25H26FNO and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID46914190
Molecular FormulaC25H26FNO
Molecular Weight375.49 g/mol
Exact Mass375.20
IUPAC Name3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3ccccc3)cccc21
InChIInChI=1S/C25H26FNO/c1-27(2)17-7-16-25(20-12-14-21(26)15-13-20)24-11-6-10-22(23(24)18-28-25)19-8-4-3-5-9-19/h3-6,8-15H,7,16-18H2,1-2H3
InChIKeyWZFRILPOLZMIQF-UHFFFAOYSA-N
XLogP5.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine (CID 46914190) is 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCC1(c2ccc(F)cc2)OCc2c(-c3ccccc3)cccc21.
What is the InChIKey of 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is WZFRILPOLZMIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO/c1-27(2)17-7-16-25(20-12-14-21(26)15-13-20)24-11-6-10-22(23(24)18-28-25)19-8-4-3-5-9-19/h3-6,8-15H,7,16-18H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine?
3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 375.49 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-4-phenyl-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 46914190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).