N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine

C16H23NOS — CID 114728964

IUPACN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCNC(CSCC(C)C)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H23NOS/c1-11(2)9-19-10-14(17-4)15-8-13-7-5-6-12(3)16(13)18-15/h5-8,11,14,17H,9-10H2,1-4H3
InChIKeyGFEPCPUABYYBMW-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.39
Rot. Bonds6

About N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine

N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 114728964) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID114728964
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCNC(CSCC(C)C)c1cc2cccc(C)c2o1
InChIInChI=1S/C16H23NOS/c1-11(2)9-19-10-14(17-4)15-8-13-7-5-6-12(3)16(13)18-15/h5-8,11,14,17H,9-10H2,1-4H3
InChIKeyGFEPCPUABYYBMW-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114728971
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489
2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
N-ethyl-3-methyl-1-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
CID 105045521
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(oxan-2-yl)ethanamine
CID 114730852
[1-(7-methyl-1-benzofuran-2-yl)-2-phenylsulfanylethyl]hydrazine
CID 105228017
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
N-ethyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-amine
CID 65441133
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
N-ethyl-N',N'-dimethyl-1-(7-methyl-1-benzofuran-2-yl)ethane-1,2-diamine
CID 114729711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine (CID 114728964) is N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine is CNC(CSCC(C)C)c1cc2cccc(C)c2o1.
What is the InChIKey of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is GFEPCPUABYYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-11(2)9-19-10-14(17-4)15-8-13-7-5-6-12(3)16(13)18-15/h5-8,11,14,17H,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine?
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 277.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 114728964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).