1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine

C15H18FNO2 — CID 114730770

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO2/c1-17-13(6-10-4-5-18-9-10)15-8-11-7-12(16)2-3-14(11)19-15/h2-3,7-8,10,13,17H,4-6,9H2,1H3
InChIKeyFSCPIBAPACVHKW-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.26
Rot. Bonds4

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 114730770) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID114730770
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNC(CC1CCOC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C15H18FNO2/c1-17-13(6-10-4-5-18-9-10)15-8-11-7-12(16)2-3-14(11)19-15/h2-3,7-8,10,13,17H,4-6,9H2,1H3
InChIKeyFSCPIBAPACVHKW-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105046040
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105185674
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 114730770) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine is CNC(CC1CCOC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is FSCPIBAPACVHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-17-13(6-10-4-5-18-9-10)15-8-11-7-12(16)2-3-14(11)19-15/h2-3,7-8,10,13,17H,4-6,9H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.26, 4 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-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 114730770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).