2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C13H21NO2 — CID 105030155

IUPAC2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccoc2)C1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)16-10(3)13(8)12(14)6-11-4-5-15-7-11/h4-5,7-10,12-13H,6,14H2,1-3H3
InChIKeyKRQUVUBZGWCEPX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds3

About 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105030155) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
PubChem CID105030155
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
SMILESCC1OC(C)C(C(N)Cc2ccoc2)C1C
InChIInChI=1S/C13H21NO2/c1-8-9(2)16-10(3)13(8)12(14)6-11-4-5-15-7-11/h4-5,7-10,12-13H,6,14H2,1-3H3
InChIKeyKRQUVUBZGWCEPX-UHFFFAOYSA-N
XLogP2.21
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155888
2-(4-bromophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155737
2-(3-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155838
1-(7-bicyclo[4.1.0]heptanyl)-2-(furan-3-yl)ethanamine
CID 105030225
2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 104997435
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 114982474
1-(furan-3-yl)octan-2-amine
CID 105029979
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
1-(furan-3-yl)propane-2-sulfonamide
CID 150211021
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105030155) is 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2ccoc2)C1C.
What is the InChIKey of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
The InChIKey is KRQUVUBZGWCEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-9(2)16-10(3)13(8)12(14)6-11-4-5-15-7-11/h4-5,7-10,12-13H,6,14H2,1-3H3.
What are the key properties of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?
2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105030155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).