1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine

C13H21NO2 — CID 60919899

IUPAC1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCOC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-13(11(3)16-9)10(2)14-7-12-4-5-15-8-12/h6,10,12,14H,4-5,7-8H2,1-3H3
InChIKeyZKOVFSIYXILIRE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.58
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine

1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60919899) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60919899
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCOC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-6-13(11(3)16-9)10(2)14-7-12-4-5-15-8-12/h6,10,12,14H,4-5,7-8H2,1-3H3
InChIKeyZKOVFSIYXILIRE-UHFFFAOYSA-N
XLogP2.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-(oxolan-3-yl)propan-1-amine
CID 113260741
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
1-(2,5-dimethylfuran-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 54915593
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
N-(oxolan-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 54931945
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 60919899) is 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1cc(C(C)NCC2CCOC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is ZKOVFSIYXILIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-6-13(11(3)16-9)10(2)14-7-12-4-5-15-8-12/h6,10,12,14H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60919899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).