2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine

C14H17NO3S — CID 105029850

IUPAC2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ccoc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO3S/c1-15-14(9-11-7-8-18-10-11)12-3-5-13(6-4-12)19(2,16)17/h3-8,10,14-15H,9H2,1-2H3
InChIKeySWILOVMKTCTKSM-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.19
Rot. Bonds5

About 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine

2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 105029850) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID105029850
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ccoc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO3S/c1-15-14(9-11-7-8-18-10-11)12-3-5-13(6-4-12)19(2,16)17/h3-8,10,14-15H,9H2,1-2H3
InChIKeySWILOVMKTCTKSM-UHFFFAOYSA-N
XLogP2.19
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
3-(methylamino)-3-(4-methylsulfonylphenyl)propane-1-thiol
CID 116831435
1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030051
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
[1-(4-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283057
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105036188
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (CID 105029850) is 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine is CNC(Cc1ccoc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is SWILOVMKTCTKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-15-14(9-11-7-8-18-10-11)12-3-5-13(6-4-12)19(2,16)17/h3-8,10,14-15H,9H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 279.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105029850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).