2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

C13H17NOS — CID 114728880

IUPAC2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCSCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C13H17NOS/c1-3-16-8-11(14)12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11H,3,8,14H2,1-2H3
InChIKeyCSSHHIMLRGIROH-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.49
Rot. Bonds4

About 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114728880) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114728880
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCSCC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C13H17NOS/c1-3-16-8-11(14)12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11H,3,8,14H2,1-2H3
InChIKeyCSSHHIMLRGIROH-UHFFFAOYSA-N
XLogP3.49
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanamine
CID 114728378
2-N,2-N-diethyl-2-methyl-1-(7-methyl-1-benzofuran-2-yl)propane-1,2-diamine
CID 114729527
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
1-(7-methyl-1-benzofuran-2-yl)-3-phenoxypropan-1-amine
CID 114727504
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 114728964
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (CID 114728880) is 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is CCSCC(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is CSSHHIMLRGIROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-16-8-11(14)12-7-10-6-4-5-9(2)13(10)15-12/h4-7,11H,3,8,14H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114728880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).