2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine

C12H19NO3 — CID 116764399

IUPAC2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccco2)CCOCC1
InChIInChI=1S/C12H19NO3/c1-14-12(4-7-15-8-5-12)11(13)9-10-3-2-6-16-10/h2-3,6,11H,4-5,7-9,13H2,1H3
InChIKeyVEXYKJKQLUWTRM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds4

About 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine

2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine (PubChem CID 116764399) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
PubChem CID116764399
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine
SMILESCOC1(C(N)Cc2ccco2)CCOCC1
InChIInChI=1S/C12H19NO3/c1-14-12(4-7-15-8-5-12)11(13)9-10-3-2-6-16-10/h2-3,6,11H,4-5,7-9,13H2,1H3
InChIKeyVEXYKJKQLUWTRM-UHFFFAOYSA-N
XLogP1.35
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
2-(furan-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 83182565
2-(2-bromophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764497
2-(3,4-dichlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764414
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
1-(furan-2-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559759
2-(2,4-difluorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764410
2-(4-bromo-2-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764303
2-(furan-2-yl)-1-(oxan-4-yl)ethanamine
CID 83175646
2-(1-cyclopentylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764332
furan-2-yl-(1-methoxycyclobutyl)methanamine
CID 116713956
1-(4,4-difluorocyclohexyl)-2-(furan-2-yl)ethanamine
CID 105177457

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine (CID 116764399) is 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine is COC1(C(N)Cc2ccco2)CCOCC1.
What is the InChIKey of 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
The InChIKey is VEXYKJKQLUWTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-14-12(4-7-15-8-5-12)11(13)9-10-3-2-6-16-10/h2-3,6,11H,4-5,7-9,13H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine?
2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-(4-methoxyoxan-4-yl)ethanamine is sourced from PubChem (CID 116764399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).