2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine

C10H15F3N2O — CID 62428704

IUPAC2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
SMILESCNCc1occc1CN(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-14-5-9-8(3-4-16-9)6-15(2)7-10(11,12)13/h3-4,14H,5-7H2,1-2H3
InChIKeyBSRQEEPEVZWUSF-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.99
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine (PubChem CID 62428704) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
PubChem CID62428704
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine
SMILESCNCc1occc1CN(C)CC(F)(F)F
InChIInChI=1S/C10H15F3N2O/c1-14-5-9-8(3-4-16-9)6-15(2)7-10(11,12)13/h3-4,14H,5-7H2,1-2H3
InChIKeyBSRQEEPEVZWUSF-UHFFFAOYSA-N
XLogP1.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]butan-1-amine
CID 62462555
N-methyl-1-[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62461527
N-methyl-1-[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62421902
N-methyl-1-[3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]furan-2-yl]methanamine
CID 62413219
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
N-[[3-[[ethyl(methyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62419327
2-methyl-N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426254
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55073867
N,2-dimethyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]cyclohexan-1-amine
CID 62461344
N,N,2-trimethyl-1-[[2-(methylaminomethyl)furan-3-yl]methoxy]propan-2-amine
CID 79680056
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 55073567

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine (CID 62428704) is 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine is CNCc1occc1CN(C)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is BSRQEEPEVZWUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-14-5-9-8(3-4-16-9)6-15(2)7-10(11,12)13/h3-4,14H,5-7H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 236.24 g/mol, XLogP of 1.99, 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-[[2-(methylaminomethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62428704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).