N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine

C16H23NO2S — CID 115906657

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO2S/c1-5-13(10-20-4)17-11(2)15-9-12-7-6-8-14(18-3)16(12)19-15/h6-9,11,13,17H,5,10H2,1-4H3
InChIKeyLXTPCFCATLQQAL-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.23
Rot. Bonds7

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine (PubChem CID 115906657) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
PubChem CID115906657
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NC(C)c1cc2cccc(OC)c2o1
InChIInChI=1S/C16H23NO2S/c1-5-13(10-20-4)17-11(2)15-9-12-7-6-8-14(18-3)16(12)19-15/h6-9,11,13,17H,5,10H2,1-4H3
InChIKeyLXTPCFCATLQQAL-UHFFFAOYSA-N
XLogP4.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115905866
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
(2S)-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]-3-methylbutan-1-ol
CID 79253278
N-[1-(2-methoxyphenyl)ethyl]-1-methylsulfanylbutan-2-amine
CID 113350914
1-(7-methoxy-1-benzofuran-2-yl)propan-1-amine
CID 65438646
1-(7-methoxy-1-benzofuran-2-yl)-N-(2-methoxyethoxy)ethanamine
CID 82715428
2-ethyl-2-[1-(7-methoxy-1-benzofuran-2-yl)ethylamino]propane-1,3-diol
CID 103935727
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
CID 75427573
1-(7-methoxy-1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60979032
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-methylbut-2-en-1-amine
CID 104578626
3,3,3-trifluoro-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63225887

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine (CID 115906657) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NC(C)c1cc2cccc(OC)c2o1.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is LXTPCFCATLQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-5-13(10-20-4)17-11(2)15-9-12-7-6-8-14(18-3)16(12)19-15/h6-9,11,13,17H,5,10H2,1-4H3.
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 293.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115906657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).