2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

C13H21F3N2O — CID 55073712

IUPAC2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-12(2,3)17-6-10-5-11(19-8-10)7-18(4)9-13(14,15)16/h5,8,17H,6-7,9H2,1-4H3
InChIKeyWIJLYIXTSYVLEN-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 55073712) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID55073712
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
SMILESCN(Cc1cc(CNC(C)(C)C)co1)CC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-12(2,3)17-6-10-5-11(19-8-10)7-18(4)9-13(14,15)16/h5,8,17H,6-7,9H2,1-4H3
InChIKeyWIJLYIXTSYVLEN-UHFFFAOYSA-N
XLogP3.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine (CID 55073712) is 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is CN(Cc1cc(CNC(C)(C)C)co1)CC(F)(F)F.
What is the InChIKey of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is WIJLYIXTSYVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-12(2,3)17-6-10-5-11(19-8-10)7-18(4)9-13(14,15)16/h5,8,17H,6-7,9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 278.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55073712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).