3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

C18H24FNO — CID 105046030

IUPAC3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H24FNO/c1-20-16(9-7-13-5-3-2-4-6-13)18-12-14-11-15(19)8-10-17(14)21-18/h8,10-13,16,20H,2-7,9H2,1H3
InChIKeyASSCSOPVKUVIBY-UHFFFAOYSA-N
MW289.39 g/mol
LogP5.19
Rot. Bonds5

About 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine

3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (PubChem CID 105046030) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
PubChem CID105046030
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C18H24FNO/c1-20-16(9-7-13-5-3-2-4-6-13)18-12-14-11-15(19)8-10-17(14)21-18/h8,10-13,16,20H,2-7,9H2,1H3
InChIKeyASSCSOPVKUVIBY-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.39
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114730770
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105046040
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
1-(1-benzofuran-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 105044052
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105185849
2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729027
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
3-cyclopentyl-1-(5-ethylfuran-2-yl)-N-methylpropan-1-amine
CID 62346393
[3-cyclohexyl-1-(2,4,6-trifluorophenyl)propyl]hydrazine
CID 114193435
[1-(5-fluoro-1-benzofuran-2-yl)-4-methoxypentyl]hydrazine
CID 105338684

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine (CID 105046030) is 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is CNC(CCC1CCCCC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
The InChIKey is ASSCSOPVKUVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-20-16(9-7-13-5-3-2-4-6-13)18-12-14-11-15(19)8-10-17(14)21-18/h8,10-13,16,20H,2-7,9H2,1H3.
What are the key properties of 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine?
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105046030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).