N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine

C15H19NO4S — CID 62484329

IUPACN-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H19NO4S/c1-3-16-10-12-7-8-19-15(12)11-20-13-5-4-6-14(9-13)21(2,17)18/h4-9,16H,3,10-11H2,1-2H3
InChIKeyOTHUKVWCCGTAIM-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.37
Rot. Bonds7

About N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine

N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine (PubChem CID 62484329) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
PubChem CID62484329
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC NameN-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine
SMILESCCNCc1ccoc1COc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C15H19NO4S/c1-3-16-10-12-7-8-19-15(12)11-20-13-5-4-6-14(9-13)21(2,17)18/h4-9,16H,3,10-11H2,1-2H3
InChIKeyOTHUKVWCCGTAIM-UHFFFAOYSA-N
XLogP2.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452706
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62460294
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
N-[[2-(quinolin-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 107387788
N-[[2-[(3-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62460473
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299
N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
CID 62484331
N-[[2-[(2-tert-butylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452007
N-[[2-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62452883
N-[[2-[(2,5-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 63273237
N-[[2-[(2,4-difluorophenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62449654

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine (CID 62484329) is N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine is CCNCc1ccoc1COc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
The InChIKey is OTHUKVWCCGTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-3-16-10-12-7-8-19-15(12)11-20-13-5-4-6-14(9-13)21(2,17)18/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine?
N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine has a molecular weight of 309.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylsulfonylphenoxy)methyl]furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62484329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).