2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid

C14H18F3NO3 — CID 65061764

IUPAC2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccccc1OC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F3NO3/c1-4-18(13(2,3)12(19)20)9-10-7-5-6-8-11(10)21-14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyLUSBLYQKULLFBG-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.27
Rot. Bonds6

About 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid

2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid (PubChem CID 65061764) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
PubChem CID65061764
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccccc1OC(F)(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F3NO3/c1-4-18(13(2,3)12(19)20)9-10-7-5-6-8-11(10)21-14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyLUSBLYQKULLFBG-UHFFFAOYSA-N
XLogP3.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid 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-[(2,5-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62821130
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62820301
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
N'-ethyl-2,2-dimethyl-N'-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79662487
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-[1-benzofuran-3-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 80702675
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
2-[ethyl-[(2,4,5-trimethylphenyl)methyl]amino]-2-methylpropanoic acid
CID 114078382

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid (CID 65061764) is 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccccc1OC(F)(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid?
The InChIKey is LUSBLYQKULLFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-4-18(13(2,3)12(19)20)9-10-7-5-6-8-11(10)21-14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid has a molecular weight of 305.30 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65061764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).