methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate

C13H16F3NO2 — CID 82968950

IUPACmethyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
SMILESCCN(Cc1ccccc1C(=O)OC)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-17(9-13(14,15)16)8-10-6-4-5-7-11(10)12(18)19-2/h4-7H,3,8-9H2,1-2H3
InChIKeySCOFNBXBSJEPNW-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.86
Rot. Bonds5

About methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate

methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate (PubChem CID 82968950) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
PubChem CID82968950
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Namemethyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
SMILESCCN(Cc1ccccc1C(=O)OC)CC(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-17(9-13(14,15)16)8-10-6-4-5-7-11(10)12(18)19-2/h4-7H,3,8-9H2,1-2H3
InChIKeySCOFNBXBSJEPNW-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate 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

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068298
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 107493149
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
methane;methyl 2-propylbenzoate
CID 167647144
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate (CID 82968950) is methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate is CCN(Cc1ccccc1C(=O)OC)CC(F)(F)F.
What is the InChIKey of methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate?
The InChIKey is SCOFNBXBSJEPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-17(9-13(14,15)16)8-10-6-4-5-7-11(10)12(18)19-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate?
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate has a molecular weight of 275.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate is sourced from PubChem (CID 82968950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).