1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine

C13H17NOS — CID 64615500

IUPAC1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1cc2ccccc2o1
InChIInChI=1S/C13H17NOS/c1-3-16-9-11(14-2)13-8-10-6-4-5-7-12(10)15-13/h4-8,11,14H,3,9H2,1-2H3
InChIKeyZZNACZSEPVDHHU-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.45
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine

1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine (PubChem CID 64615500) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
PubChem CID64615500
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
SMILESCCSCC(NC)c1cc2ccccc2o1
InChIInChI=1S/C13H17NOS/c1-3-16-9-11(14-2)13-8-10-6-4-5-7-12(10)15-13/h4-8,11,14H,3,9H2,1-2H3
InChIKeyZZNACZSEPVDHHU-UHFFFAOYSA-N
XLogP3.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-benzylsulfanyl-N-methylethanamine
CID 64621206
1-(1-benzofuran-2-yl)-N-methyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784125
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-2-[(5-bromo-2-pyridinyl)sulfanyl]-N-methylethanamine
CID 64631060
1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine (CID 64615500) is 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine is CCSCC(NC)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine?
The InChIKey is ZZNACZSEPVDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-16-9-11(14-2)13-8-10-6-4-5-7-12(10)15-13/h4-8,11,14H,3,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine?
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine is sourced from PubChem (CID 64615500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).