N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine

C13H21NO2 — CID 65156443

IUPACN-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C)o1
InChIInChI=1S/C13H21NO2/c1-3-14-12(9-11-5-4-8-15-11)13-7-6-10(2)16-13/h6-7,11-12,14H,3-5,8-9H2,1-2H3
InChIKeyRRMFGKMBVGVDJX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine

N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 65156443) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID65156443
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C)o1
InChIInChI=1S/C13H21NO2/c1-3-14-12(9-11-5-4-8-15-11)13-7-6-10(2)16-13/h6-7,11-12,14H,3-5,8-9H2,1-2H3
InChIKeyRRMFGKMBVGVDJX-UHFFFAOYSA-N
XLogP2.81
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550488
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833759
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63975733
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 80533971
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65156203
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine (CID 65156443) is N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccc(C)o1.
What is the InChIKey of N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is RRMFGKMBVGVDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-14-12(9-11-5-4-8-15-11)13-7-6-10(2)16-13/h6-7,11-12,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine?
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65156443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).