N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine

C15H21NO2 — CID 114249078

IUPACN-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(C)c(C)o1
InChIInChI=1S/C15H21NO2/c1-5-12-7-8-13(18-12)15(16-6-2)14-9-10(3)11(4)17-14/h7-9,15-16H,5-6H2,1-4H3
InChIKeyDTSZUSAYVWZYCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.75
Rot. Bonds5

About N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine

N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine (PubChem CID 114249078) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
PubChem CID114249078
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)o1)c1cc(C)c(C)o1
InChIInChI=1S/C15H21NO2/c1-5-12-7-8-13(18-12)15(16-6-2)14-9-10(3)11(4)17-14/h7-9,15-16H,5-6H2,1-4H3
InChIKeyDTSZUSAYVWZYCC-UHFFFAOYSA-N
XLogP3.75
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)-(4-methylphenyl)methyl]ethanamine
CID 55061507
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
N-[(4-bromo-2,5-dimethylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79096339
N-[(5-ethylfuran-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 62346411
N-[(4-chlorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346781
N-[(5-ethylfuran-2-yl)-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62346589
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 63731632
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(5-ethylfuran-2-yl)methyl]ethanamine
CID 62346595
N-[(4-butylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 79094480
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
N-[(5-ethylfuran-2-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815972
N-[(3-chloro-2-fluorophenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 81265394

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine (CID 114249078) is N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)o1)c1cc(C)c(C)o1.
What is the InChIKey of N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine?
The InChIKey is DTSZUSAYVWZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-12-7-8-13(18-12)15(16-6-2)14-9-10(3)11(4)17-14/h7-9,15-16H,5-6H2,1-4H3.
What are the key properties of N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine?
N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine has a molecular weight of 247.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylfuran-2-yl)-(5-ethylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114249078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).