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

C14H23NO2 — CID 114825204

IUPACN-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)C1COC(C)C1
InChIInChI=1S/C14H23NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h7,9,12,14-15H,5-6,8H2,1-4H3
InChIKeyFNVKMOUOCFAFMC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.97
Rot. Bonds4

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

N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine (PubChem CID 114825204) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
PubChem CID114825204
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)oc1C)C1COC(C)C1
InChIInChI=1S/C14H23NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h7,9,12,14-15H,5-6,8H2,1-4H3
InChIKeyFNVKMOUOCFAFMC-UHFFFAOYSA-N
XLogP2.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
N-[(3,5-dimethylcyclohexyl)-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 104988757
N-[(2,5-dimethylfuran-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126538
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194
N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 112742602
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825161
N-[(4-fluoro-2,6-dimethylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106878990

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine (CID 114825204) is N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine is CCNC(c1cc(C)oc1C)C1COC(C)C1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
The InChIKey is FNVKMOUOCFAFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15-14(12-6-9(2)16-8-12)13-7-10(3)17-11(13)4/h7,9,12,14-15H,5-6,8H2,1-4H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine?
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.97, 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)-(5-methyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114825204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).