N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

C12H19F3N2O — CID 55073816

IUPACN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCc1occc1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H19F3N2O/c1-9(2)17(8-12(13,14)15)7-10-4-5-18-11(10)6-16-3/h4-5,9,16H,6-8H2,1-3H3
InChIKeyJMEWXSBYUFZQPD-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.77
Rot. Bonds6

About N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine

N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 55073816) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID55073816
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCNCc1occc1CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H19F3N2O/c1-9(2)17(8-12(13,14)15)7-10-4-5-18-11(10)6-16-3/h4-5,9,16H,6-8H2,1-3H3
InChIKeyJMEWXSBYUFZQPD-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 55073816) is N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is CNCc1occc1CN(CC(F)(F)F)C(C)C.
What is the InChIKey of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is JMEWXSBYUFZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-9(2)17(8-12(13,14)15)7-10-4-5-18-11(10)6-16-3/h4-5,9,16H,6-8H2,1-3H3.
What are the key properties of N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 55073816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).