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

C17H22FNO — CID 105047443

IUPAC2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-2-19-15(10-12-6-3-4-7-12)16-11-13-8-5-9-14(18)17(13)20-16/h5,8-9,11-12,15,19H,2-4,6-7,10H2,1H3
InChIKeyOMUDUSKTJQSXJT-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.80
Rot. Bonds5

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

2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (PubChem CID 105047443) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
PubChem CID105047443
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
SMILESCCNC(CC1CCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H22FNO/c1-2-19-15(10-12-6-3-4-7-12)16-11-13-8-5-9-14(18)17(13)20-16/h5,8-9,11-12,15,19H,2-4,6-7,10H2,1H3
InChIKeyOMUDUSKTJQSXJT-UHFFFAOYSA-N
XLogP4.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(oxolan-3-yl)ethanamine
CID 114730776
N-ethyl-3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728047
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 105138802
N-[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114727995
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-3-methoxypropan-1-amine
CID 114728068
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-[(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114728259
N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103559896
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105048647
1-(7-bromo-1-benzofuran-2-yl)-2-cyclopentyl-N-methylethanamine
CID 105139091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine (CID 105047443) is 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is CCNC(CC1CCCC1)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
The InChIKey is OMUDUSKTJQSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-2-19-15(10-12-6-3-4-7-12)16-11-13-8-5-9-14(18)17(13)20-16/h5,8-9,11-12,15,19H,2-4,6-7,10H2,1H3.
What are the key properties of 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine?
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 105047443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).