3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine

C15H20FNO — CID 114735578

IUPAC3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO/c1-3-7-17-8-6-11(2)15-10-12-9-13(16)4-5-14(12)18-15/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyFMOMKGZEIIMNNP-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.07
Rot. Bonds6

About 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine

3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine (PubChem CID 114735578) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
PubChem CID114735578
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO/c1-3-7-17-8-6-11(2)15-10-12-9-13(16)4-5-14(12)18-15/h4-5,9-11,17H,3,6-8H2,1-2H3
InChIKeyFMOMKGZEIIMNNP-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
3-(5-fluoro-2-methylphenyl)-N-propylbutan-1-amine
CID 81019160
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine (CID 114735578) is 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine is CCCNCCC(C)c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
The InChIKey is FMOMKGZEIIMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-7-17-8-6-11(2)15-10-12-9-13(16)4-5-14(12)18-15/h4-5,9-11,17H,3,6-8H2,1-2H3.
What are the key properties of 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine?
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 114735578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).