2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine

C11H17F3N2O — CID 55073567

IUPAC2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
SMILESCNCc1cc(CN(C)CC(F)(F)F)oc1C
InChIInChI=1S/C11H17F3N2O/c1-8-9(5-15-2)4-10(17-8)6-16(3)7-11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyMDAHTYHYQZPQLU-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.30
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine (PubChem CID 55073567) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
PubChem CID55073567
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
SMILESCNCc1cc(CN(C)CC(F)(F)F)oc1C
InChIInChI=1S/C11H17F3N2O/c1-8-9(5-15-2)4-10(17-8)6-16(3)7-11(12,13)14/h4,15H,5-7H2,1-3H3
InChIKeyMDAHTYHYQZPQLU-UHFFFAOYSA-N
XLogP2.30
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
2-methyl-N-[[5-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62427794
N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55070105
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336
4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434933
N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79312495
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine (CID 55073567) is 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine is CNCc1cc(CN(C)CC(F)(F)F)oc1C.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is MDAHTYHYQZPQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-8-9(5-15-2)4-10(17-8)6-16(3)7-11(12,13)14/h4,15H,5-7H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 250.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 55073567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).