N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

C14H19NOS — CID 102842041

IUPACN-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1ccsc1C
InChIInChI=1S/C14H19NOS/c1-5-15-14(12-6-7-17-11(12)4)13-8-9(2)16-10(13)3/h6-8,14-15H,5H2,1-4H3
InChIKeyATEQBVLTDUDBPR-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.97
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine

N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 102842041) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
PubChem CID102842041
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)c1ccsc1C
InChIInChI=1S/C14H19NOS/c1-5-15-14(12-6-7-17-11(12)4)13-8-9(2)16-10(13)3/h6-8,14-15H,5H2,1-4H3
InChIKeyATEQBVLTDUDBPR-UHFFFAOYSA-N
XLogP3.97
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methanol
CID 102842552
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 107982004
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419
N-[(2-methylthiophen-3-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 102841738
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820182
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(2,5-dimethylfuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 62303504
N-[(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842157
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[[4-bromo-2-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832268
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine
CID 105032873

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine (CID 102842041) is N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1cc(C)oc1C)c1ccsc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is ATEQBVLTDUDBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-5-15-14(12-6-7-17-11(12)4)13-8-9(2)16-10(13)3/h6-8,14-15H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 102842041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).