N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine

C16H20FNO2 — CID 114730776

IUPACN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H20FNO2/c1-2-18-14(8-11-6-7-19-10-11)15-9-12-4-3-5-13(17)16(12)20-15/h3-5,9,11,14,18H,2,6-8,10H2,1H3
InChIKeyBXGRJWUTDBFWHC-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine (PubChem CID 114730776) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
PubChem CID114730776
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC NameN-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
SMILESCCNC(CC1CCOC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H20FNO2/c1-2-18-14(8-11-6-7-19-10-11)15-9-12-4-3-5-13(17)16(12)20-15/h3-5,9,11,14,18H,2,6-8,10H2,1H3
InChIKeyBXGRJWUTDBFWHC-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
2-(2-bicyclo[2.2.1]heptanyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 105047407
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
N-[(7-fluoro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105047588
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine (CID 114730776) is N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine is CCNC(CC1CCOC1)c1cc2cccc(F)c2o1.
What is the InChIKey of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine?
The InChIKey is BXGRJWUTDBFWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-18-14(8-11-6-7-19-10-11)15-9-12-4-3-5-13(17)16(12)20-15/h3-5,9,11,14,18H,2,6-8,10H2,1H3.
What are the key properties of N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine?
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 114730776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).