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

C15H18FNO — CID 114731017

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO/c1-3-5-13(17-8-4-2)15-10-11-9-12(16)6-7-14(11)18-15/h3,6-7,9-10,13,17H,1,4-5,8H2,2H3
InChIKeyWFNPCPXSZLILEG-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.19
Rot. Bonds6

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

1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 114731017) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
PubChem CID114731017
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO/c1-3-5-13(17-8-4-2)15-10-11-9-12(16)6-7-14(11)18-15/h3,6-7,9-10,13,17H,1,4-5,8H2,2H3
InChIKeyWFNPCPXSZLILEG-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
CID 114727304
1-(2-bromo-5-fluorophenyl)-N-propylbut-3-en-1-amine
CID 115815047
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
N-[(5-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methyl]propan-1-amine
CID 114728407
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
CID 105269594
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine (CID 114731017) is 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is WFNPCPXSZLILEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-5-13(17-8-4-2)15-10-11-9-12(16)6-7-14(11)18-15/h3,6-7,9-10,13,17H,1,4-5,8H2,2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 247.31 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 114731017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).