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

C15H20FNO2 — CID 105185778

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-3-7-18-8-6-13(17-2)15-10-11-9-12(16)4-5-14(11)19-15/h4-5,9-10,13,17H,3,6-8H2,1-2H3
InChIKeyUFBXCBIBEZCDAT-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.65
Rot. Bonds7

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

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine (PubChem CID 105185778) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
PubChem CID105185778
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H20FNO2/c1-3-7-18-8-6-13(17-2)15-10-11-9-12(16)4-5-14(11)19-15/h4-5,9-10,13,17H,3,6-8H2,1-2H3
InChIKeyUFBXCBIBEZCDAT-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
CID 105185826
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
CID 105141977
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105185849
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731322
[1-(5-fluoro-1-benzofuran-2-yl)-2-propylpentyl]hydrazine
CID 105338630

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine (CID 105185778) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The InChIKey is UFBXCBIBEZCDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-7-18-8-6-13(17-2)15-10-11-9-12(16)4-5-14(11)19-15/h4-5,9-10,13,17H,3,6-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105185778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).