N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine

C17H22FNO2 — CID 103559886

IUPACN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H22FNO2/c1-3-19-14(11-17(20-2)7-4-8-17)16-10-12-9-13(18)5-6-15(12)21-16/h5-6,9-10,14,19H,3-4,7-8,11H2,1-2H3
InChIKeyKJZKKLUDNJILFA-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.18
Rot. Bonds6

About N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine

N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103559886) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103559886
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H22FNO2/c1-3-19-14(11-17(20-2)7-4-8-17)16-10-12-9-13(18)5-6-15(12)21-16/h5-6,9-10,14,19H,3-4,7-8,11H2,1-2H3
InChIKeyKJZKKLUDNJILFA-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 106878353
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-phenylethanamine
CID 114727698
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556253
1-(5-fluoro-1-benzofuran-2-yl)propylhydrazine
CID 105201183
N-ethyl-1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559311
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211
N-ethyl-1-(3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556929

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103559886) is N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is KJZKKLUDNJILFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-3-19-14(11-17(20-2)7-4-8-17)16-10-12-9-13(18)5-6-15(12)21-16/h5-6,9-10,14,19H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine?
N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 291.37 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103559886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).