1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine

C12H15NOS — CID 114728409

IUPAC1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C12H15NOS/c1-8-3-4-11-9(5-8)6-12(14-11)10(13)7-15-2/h3-6,10H,7,13H2,1-2H3
InChIKeyQSKFJKXPLIHIKL-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.10
Rot. Bonds3

About 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine

1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine (PubChem CID 114728409) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
PubChem CID114728409
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)c1cc2cc(C)ccc2o1
InChIInChI=1S/C12H15NOS/c1-8-3-4-11-9(5-8)6-12(14-11)10(13)7-15-2/h3-6,10H,7,13H2,1-2H3
InChIKeyQSKFJKXPLIHIKL-UHFFFAOYSA-N
XLogP3.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 105171738
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
4-methyl-1-(5-methyl-1-benzofuran-2-yl)pent-4-en-1-amine
CID 105182549
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2,2-diethoxy-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729833
[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227379
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine (CID 114728409) is 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine is CSCC(N)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine?
The InChIKey is QSKFJKXPLIHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8-3-4-11-9(5-8)6-12(14-11)10(13)7-15-2/h3-6,10H,7,13H2,1-2H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine?
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine is sourced from PubChem (CID 114728409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).