2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine

C12H17F3N2 — CID 104546912

IUPAC2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
SMILESCNCCc1ccccc1CNCC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16-17H,6-9H2,1H3
InChIKeyHRGGDTFSRSBBMZ-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.10
Rot. Bonds6

About 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine

2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine (PubChem CID 104546912) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
PubChem CID104546912
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
SMILESCNCCc1ccccc1CNCC(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16-17H,6-9H2,1H3
InChIKeyHRGGDTFSRSBBMZ-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 104546986
2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 113425638
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-methyl-1-[2-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 82608402
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]cycloheptanamine
CID 104546893
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106173018

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine (CID 104546912) is 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine is CNCCc1ccccc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine?
The InChIKey is HRGGDTFSRSBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-16-7-6-10-4-2-3-5-11(10)8-17-9-12(13,14)15/h2-5,16-17H,6-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine?
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine has a molecular weight of 246.28 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 104546912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).