1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine

C12H19NO3 — CID 104628579

IUPAC1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1(C)OCCO1)c1ccco1
InChIInChI=1S/C12H19NO3/c1-10(11-4-3-7-14-11)13-6-5-12(2)15-8-9-16-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyNQXZHPAZWSMPHI-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.08
Rot. Bonds5

About 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine

1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine (PubChem CID 104628579) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
PubChem CID104628579
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine
SMILESCC(NCCC1(C)OCCO1)c1ccco1
InChIInChI=1S/C12H19NO3/c1-10(11-4-3-7-14-11)13-6-5-12(2)15-8-9-16-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyNQXZHPAZWSMPHI-UHFFFAOYSA-N
XLogP2.08
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 104628589
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine (CID 104628579) is 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine is CC(NCCC1(C)OCCO1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
The InChIKey is NQXZHPAZWSMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-10(11-4-3-7-14-11)13-6-5-12(2)15-8-9-16-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 104628579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).