2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C17H25NOS — CID 114728947

IUPAC2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H25NOS/c1-6-18-14(11-20-17(3,4)5)16-10-13-9-12(2)7-8-15(13)19-16/h7-10,14,18H,6,11H2,1-5H3
InChIKeyVHOSLPAFZLDJOS-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.92
Rot. Bonds5

About 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114728947) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114728947
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCCNC(CSC(C)(C)C)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H25NOS/c1-6-18-14(11-20-17(3,4)5)16-10-13-9-12(2)7-8-15(13)19-16/h7-10,14,18H,6,11H2,1-5H3
InChIKeyVHOSLPAFZLDJOS-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 114731389
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
CID 105179544
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
1-(5-chloro-1-benzofuran-2-yl)-N-ethyl-2-methylsulfanylethanamine
CID 114728420
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
1-(1-benzofuran-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632858
1-(1-benzofuran-2-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114728644
1-(1-benzofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 61064901
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 114728947) is 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is CCNC(CSC(C)(C)C)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is VHOSLPAFZLDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-6-18-14(11-20-17(3,4)5)16-10-13-9-12(2)7-8-15(13)19-16/h7-10,14,18H,6,11H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 291.46 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114728947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).