1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

C15H23F3N2O — CID 60856316

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1cc(C(C)NCC2CCN(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C15H23F3N2O/c1-10-6-14(12(3)21-10)11(2)19-7-13-4-5-20(8-13)9-15(16,17)18/h6,11,13,19H,4-5,7-9H2,1-3H3
InChIKeyOGZRQQNTAMQMNU-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.43
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 60856316) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID60856316
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCc1cc(C(C)NCC2CCN(CC(F)(F)F)C2)c(C)o1
InChIInChI=1S/C15H23F3N2O/c1-10-6-14(12(3)21-10)11(2)19-7-13-4-5-20(8-13)9-15(16,17)18/h6,11,13,19H,4-5,7-9H2,1-3H3
InChIKeyOGZRQQNTAMQMNU-UHFFFAOYSA-N
XLogP3.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine (CID 60856316) is 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is Cc1cc(C(C)NCC2CCN(CC(F)(F)F)C2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is OGZRQQNTAMQMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-10-6-14(12(3)21-10)11(2)19-7-13-4-5-20(8-13)9-15(16,17)18/h6,11,13,19H,4-5,7-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 304.36 g/mol, XLogP of 3.43, 5 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-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 60856316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).