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

C14H19NO2 — CID 114820182

IUPACN-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1cc(C)oc1C
InChIInChI=1S/C14H19NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h6-8,14-15H,5H2,1-4H3
InChIKeyFFKPEIUDTBNLLB-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.50
Rot. Bonds4

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

N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine (PubChem CID 114820182) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
PubChem CID114820182
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1coc(C)c1)c1cc(C)oc1C
InChIInChI=1S/C14H19NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h6-8,14-15H,5H2,1-4H3
InChIKeyFFKPEIUDTBNLLB-UHFFFAOYSA-N
XLogP3.50
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(2,5-dibromo-4-methylphenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820382
N-[(2-fluorophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 115828096
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-[(4-bromophenyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114819976
N-[(2,5-dimethylfuran-3-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102842041
N-[(5-methylfuran-3-yl)-(3-methylphenyl)methyl]ethanamine
CID 115790238
N-[(5-methylfuran-3-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018314
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[cyclopenten-1-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 62079984
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 102653722

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine (CID 114820182) is N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine is CCNC(c1coc(C)c1)c1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is FFKPEIUDTBNLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h6-8,14-15H,5H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(5-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 3.50, 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)-(5-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114820182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).