1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C16H16FNOS — CID 105047457

IUPAC1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H16FNOS/c1-3-10-7-8-20-16(10)14(18-2)13-9-11-5-4-6-12(17)15(11)19-13/h4-9,14,18H,3H2,1-2H3
InChIKeyAGZGPFPFXPGYIL-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.50
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105047457) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105047457
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H16FNOS/c1-3-10-7-8-20-16(10)14(18-2)13-9-11-5-4-6-12(17)15(11)19-13/h4-9,14,18H,3H2,1-2H3
InChIKeyAGZGPFPFXPGYIL-UHFFFAOYSA-N
XLogP4.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-ethylthiophen-2-yl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338360
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
N-[(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105047452
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791857
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114730983
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
[(3-ethyl-4-pyridinyl)-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262308

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105047457) is 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CCc1ccsc1C(NC)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is AGZGPFPFXPGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-3-10-7-8-20-16(10)14(18-2)13-9-11-5-4-6-12(17)15(11)19-13/h4-9,14,18H,3H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105047457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).