N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine

C13H19F3N2 — CID 62426446

IUPACN-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cccc(CNC)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-18(10-13(14,15)16)9-12-6-4-5-11(7-12)8-17-2/h4-7,17H,3,8-10H2,1-2H3
InChIKeyNYKJGUVUOPJVBL-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.79
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine (PubChem CID 62426446) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
PubChem CID62426446
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1cccc(CNC)c1)CC(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-3-18(10-13(14,15)16)9-12-6-4-5-11(7-12)8-17-2/h4-7,17H,3,8-10H2,1-2H3
InChIKeyNYKJGUVUOPJVBL-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]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

3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 55011184
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55008961
N-[2-[3-(methylaminomethyl)phenoxy]ethyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62426299
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-2,2,2-trifluoroethanamine
CID 62426087
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62426089
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
N-ethyl-2,2,2-trifluoro-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 62426627
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 102770001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine (CID 62426446) is N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine is CCN(Cc1cccc(CNC)c1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
The InChIKey is NYKJGUVUOPJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-3-18(10-13(14,15)16)9-12-6-4-5-11(7-12)8-17-2/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine has a molecular weight of 260.30 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62426446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).