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

C17H24FNO2 — CID 105185826

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO2/c1-3-8-19-15(7-10-20-9-4-2)17-12-13-11-14(18)5-6-16(13)21-17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3
InChIKeyLUPHDWXMMRQTHQ-UHFFFAOYSA-N
MW293.38 g/mol
LogP4.43
Rot. Bonds9

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

1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine (PubChem CID 105185826) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
PubChem CID105185826
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOCCC)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H24FNO2/c1-3-8-19-15(7-10-20-9-4-2)17-12-13-11-14(18)5-6-16(13)21-17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3
InChIKeyLUPHDWXMMRQTHQ-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 54.43
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)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728136
1-(5-fluoro-1-benzofuran-2-yl)-N-propylbut-3-en-1-amine
CID 114731017
1-(4-fluorophenyl)-3-propoxy-N-propylpropan-1-amine
CID 105088079
3-(5-fluoro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735578
[2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235462
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
1-(5-fluoro-1-benzofuran-2-yl)decan-1-amine
CID 105046157
N-[(5-fluoro-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105046113
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
N-[(5-chlorothiophen-2-yl)-(5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045996

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine (CID 105185826) is 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine is CCCNC(CCOCCC)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine?
The InChIKey is LUPHDWXMMRQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-8-19-15(7-10-20-9-4-2)17-12-13-11-14(18)5-6-16(13)21-17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-3-propoxy-N-propylpropan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 4.43, 9 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)-3-propoxy-N-propylpropan-1-amine is sourced from PubChem (CID 105185826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).