2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C18H25NOS — CID 114729027

IUPAC2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H25NOS/c1-13-8-9-17-14(10-13)11-18(20-17)16(19-2)12-21-15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12H2,1-2H3
InChIKeyLLOXOCJDAZABJE-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.07
Rot. Bonds5

About 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114729027) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114729027
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCNC(CSC1CCCCC1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C18H25NOS/c1-13-8-9-17-14(10-13)11-18(20-17)16(19-2)12-21-15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12H2,1-2H3
InChIKeyLLOXOCJDAZABJE-UHFFFAOYSA-N
XLogP5.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopentylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105227379
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
2-cyclopentylsulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 65138658
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
N,5-dimethyl-1-benzofuran-2-amine
CID 123740126
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114729022
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 114729027) is 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is CNC(CSC1CCCCC1)c1cc2cc(C)ccc2o1.
What is the InChIKey of 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is LLOXOCJDAZABJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13-8-9-17-14(10-13)11-18(20-17)16(19-2)12-21-15-6-4-3-5-7-15/h8-11,15-16,19H,3-7,12H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 303.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N-methyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114729027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).