2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C17H16FNOS — CID 114729395

IUPAC2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)CSc3cccc(F)c3)cc2c1
InChIInChI=1S/C17H16FNOS/c1-11-5-6-16-12(7-11)8-17(20-16)15(19)10-21-14-4-2-3-13(18)9-14/h2-9,15H,10,19H2,1H3
InChIKeyOWGHVBWEGWCJHF-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.67
Rot. Bonds4

About 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114729395) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114729395
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)CSc3cccc(F)c3)cc2c1
InChIInChI=1S/C17H16FNOS/c1-11-5-6-16-12(7-11)8-17(20-16)15(19)10-21-14-4-2-3-13(18)9-14/h2-9,15H,10,19H2,1H3
InChIKeyOWGHVBWEGWCJHF-UHFFFAOYSA-N
XLogP4.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
2-(4-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726766
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(2-chloro-5-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 105395116
3-[1-amino-2-(3-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66072309
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 114729395) is 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is Cc1ccc2oc(C(N)CSc3cccc(F)c3)cc2c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is OWGHVBWEGWCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-11-5-6-16-12(7-11)8-17(20-16)15(19)10-21-14-4-2-3-13(18)9-14/h2-9,15H,10,19H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114729395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).