1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine

C15H20FNO — CID 114728123

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO/c1-10(2)7-8-13(17-3)14-9-11-5-4-6-12(16)15(11)18-14/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyVDIRGQFVJXMBAT-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.27
Rot. Bonds5

About 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine (PubChem CID 114728123) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
PubChem CID114728123
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)C)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H20FNO/c1-10(2)7-8-13(17-3)14-9-11-5-4-6-12(16)15(11)18-14/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyVDIRGQFVJXMBAT-UHFFFAOYSA-N
XLogP4.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine with MolForge

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105186518
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
2-(7-fluoro-1-benzofuran-2-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244926
[2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105225526
2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105047407
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine (CID 114728123) is 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine is CNC(CCC(C)C)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine?
The InChIKey is VDIRGQFVJXMBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(2)7-8-13(17-3)14-9-11-5-4-6-12(16)15(11)18-14/h4-6,9-10,13,17H,7-8H2,1-3H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine?
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 114728123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).