2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

C13H21F3N2O — CID 62428706

IUPAC2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C13H21F3N2O/c1-10(2)5-17-6-11-4-12(19-8-11)7-18(3)9-13(14,15)16/h4,8,10,17H,5-7,9H2,1-3H3
InChIKeyDADHYZJJUOJQLL-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.02
Rot. Bonds7

About 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62428706) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62428706
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-1-amine
SMILESCC(C)CNCc1coc(CN(C)CC(F)(F)F)c1
InChIInChI=1S/C13H21F3N2O/c1-10(2)5-17-6-11-4-12(19-8-11)7-18(3)9-13(14,15)16/h4,8,10,17H,5-7,9H2,1-3H3
InChIKeyDADHYZJJUOJQLL-UHFFFAOYSA-N
XLogP3.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

2-methyl-N-[[5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62426165
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
2,6-difluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)aniline
CID 63058991
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754632
N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
CID 62546318
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190

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-1-amine?
The IUPAC name of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 62428706) is 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CC(C)CNCc1coc(CN(C)CC(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is DADHYZJJUOJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-10(2)5-17-6-11-4-12(19-8-11)7-18(3)9-13(14,15)16/h4,8,10,17H,5-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 278.32 g/mol, XLogP of 3.02, 7 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-1-amine is sourced from PubChem (CID 62428706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).