1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine

C15H20FNO2 — CID 105186440

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-3-8-18-9-7-13(17-2)14-10-11-5-4-6-12(16)15(11)19-14/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyUQYDMDNJHGCZAC-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.65
Rot. Bonds7

About 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine (PubChem CID 105186440) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
PubChem CID105186440
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO2/c1-3-8-18-9-7-13(17-2)14-10-11-5-4-6-12(16)15(11)19-14/h4-6,10,13,17H,3,7-9H2,1-2H3
InChIKeyUQYDMDNJHGCZAC-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-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine (CID 105186440) is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
The InChIKey is UQYDMDNJHGCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-8-18-9-7-13(17-2)14-10-11-5-4-6-12(16)15(11)19-14/h4-6,10,13,17H,3,7-9H2,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine?
1-(7-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-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105186440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).