N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine

C16H24N2OS — CID 115987741

IUPACN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1oc2ccccc2c1CN(C)CCSC
InChIInChI=1S/C16H24N2OS/c1-4-17-11-16-14(12-18(2)9-10-20-3)13-7-5-6-8-15(13)19-16/h5-8,17H,4,9-12H2,1-3H3
InChIKeyYQWPLUGKFLCJNX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.34
Rot. Bonds8

About N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine

N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine (PubChem CID 115987741) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
PubChem CID115987741
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
SMILESCCNCc1oc2ccccc2c1CN(C)CCSC
InChIInChI=1S/C16H24N2OS/c1-4-17-11-16-14(12-18(2)9-10-20-3)13-7-5-6-8-15(13)19-16/h5-8,17H,4,9-12H2,1-3H3
InChIKeyYQWPLUGKFLCJNX-UHFFFAOYSA-N
XLogP3.34
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
5-Ethyl-6-methyl-3-{[(3-methyl-1-benzofuran-2-yl)methyl]amino}-1,2-dihydropyridin-2-one
CID 454453
N-(6-sulfanylhexyl)-1-benzofuran-2-carboxamide
CID 11265886
1-(1-benzofuran-2-ylmethyl)-N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]piperidin-4-amine
CID 142590723
N-Benzofuran-2-ylmethyl-N-ethyl-N',N'-dimethyl-pentane-1,5-diamine
CID 11979286
N1-(benzofuran-2-ylmethyl)-N1,N5,N5-trimethylpentane-1,5-diamine hydrochloride
CID 16192902
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146
Benzofuran-2-ylmethyl-butyl-amine
CID 16682061
S-[6-(1-benzofuran-2-carbonylamino)hexyl] 2-methylpropanethioate
CID 11405295
Morpholine, 4-(3-(((2-ethyl-3-benzofuranyl)methyl)amino)propyl)-
CID 3024462
1,2,3,4-Tetrahydro-benzofuro(3,2-c)pyridine
CID 11160118
1-(1-benzofuran-2-ylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 49792748

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine (CID 115987741) is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine is CCNCc1oc2ccccc2c1CN(C)CCSC.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
The InChIKey is YQWPLUGKFLCJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-17-11-16-14(12-18(2)9-10-20-3)13-7-5-6-8-15(13)19-16/h5-8,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine?
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine is sourced from PubChem (CID 115987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).