1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine

C17H23NOS — CID 64610321

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESCCNC(CSCc1ccco1)c1cc(C)ccc1C
InChIInChI=1S/C17H23NOS/c1-4-18-17(12-20-11-15-6-5-9-19-15)16-10-13(2)7-8-14(16)3/h5-10,17-18H,4,11-12H2,1-3H3
InChIKeyWUBSEXCKQKRYOC-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.48
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 64610321) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID64610321
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESCCNC(CSCc1ccco1)c1cc(C)ccc1C
InChIInChI=1S/C17H23NOS/c1-4-18-17(12-20-11-15-6-5-9-19-15)16-10-13(2)7-8-14(16)3/h5-10,17-18H,4,11-12H2,1-3H3
InChIKeyWUBSEXCKQKRYOC-UHFFFAOYSA-N
XLogP4.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-2-(furan-2-ylmethylsulfanyl)-N-methylethanamine
CID 64609482
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,5-dimethylphenyl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105120302
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
N-[2-(furan-2-ylmethylsulfanyl)-1-phenylethyl]propan-1-amine
CID 64609476
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
1-(2,5-dimethylphenyl)-2-(furan-2-yl)ethanol
CID 83172156
N-ethyl-2-(furan-2-yl)-1-(4-methylthiophen-3-yl)ethanamine
CID 83182960
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 64610321) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine is CCNC(CSCc1ccco1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is WUBSEXCKQKRYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-4-18-17(12-20-11-15-6-5-9-19-15)16-10-13(2)7-8-14(16)3/h5-10,17-18H,4,11-12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 64610321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).