1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine

C14H19NOS — CID 64614485

IUPAC1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
SMILESCC(C)(C)SCC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H19NOS/c1-14(2,3)17-9-11(15)13-8-10-6-4-5-7-12(10)16-13/h4-8,11H,9,15H2,1-3H3
InChIKeyCYIMCHFJLOGNFB-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.96
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine

1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine (PubChem CID 64614485) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
PubChem CID64614485
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine
SMILESCC(C)(C)SCC(N)c1cc2ccccc2o1
InChIInChI=1S/C14H19NOS/c1-14(2,3)17-9-11(15)13-8-10-6-4-5-7-12(10)16-13/h4-8,11H,9,15H2,1-3H3
InChIKeyCYIMCHFJLOGNFB-UHFFFAOYSA-N
XLogP3.96
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
1-(1-benzofuran-2-yl)-2-(2,4-dimethylphenyl)sulfanylethanamine
CID 64620131
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650657
methyl 3-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanylpropanoate
CID 64614353
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
1-(1-benzofuran-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626110
5-[2-amino-2-(1-benzofuran-2-yl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610673
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
1-(1-benzofuran-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 105184765
[1-(1-benzofuran-2-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245571

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine (CID 64614485) is 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine is CC(C)(C)SCC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine?
The InChIKey is CYIMCHFJLOGNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-14(2,3)17-9-11(15)13-8-10-6-4-5-7-12(10)16-13/h4-8,11H,9,15H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine?
1-(1-benzofuran-2-yl)-2-tert-butylsulfanylethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.96, 3 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-tert-butylsulfanylethanamine is sourced from PubChem (CID 64614485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).