N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C13H19F3N2O — CID 55073867

IUPACN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCc1occc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N2O/c1-2-17-7-12-10(5-6-19-12)8-18(11-3-4-11)9-13(14,15)16/h5-6,11,17H,2-4,7-9H2,1H3
InChIKeyXEGIJPUYNWDBGP-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.92
Rot. Bonds7

About N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55073867) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55073867
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCc1occc1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N2O/c1-2-17-7-12-10(5-6-19-12)8-18(11-3-4-11)9-13(14,15)16/h5-6,11,17H,2-4,7-9H2,1H3
InChIKeyXEGIJPUYNWDBGP-UHFFFAOYSA-N
XLogP2.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55073867) is N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCNCc1occc1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is XEGIJPUYNWDBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-17-7-12-10(5-6-19-12)8-18(11-3-4-11)9-13(14,15)16/h5-6,11,17H,2-4,7-9H2,1H3.
What are the key properties of N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 276.30 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 55073867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).