2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid

C14H18F3NO2 — CID 115462802

IUPAC2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
SMILESCC(C)N(Cc1ccccc1CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-10(2)18(9-14(15,16)17)8-12-6-4-3-5-11(12)7-13(19)20/h3-6,10H,7-9H2,1-2H3,(H,19,20)
InChIKeyFLPPQZYLSYPPCO-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid

2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid (PubChem CID 115462802) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
PubChem CID115462802
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
SMILESCC(C)N(Cc1ccccc1CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H18F3NO2/c1-10(2)18(9-14(15,16)17)8-12-6-4-3-5-11(12)7-13(19)20/h3-6,10H,7-9H2,1-2H3,(H,19,20)
InChIKeyFLPPQZYLSYPPCO-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic 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-[4-[4-Methyl-1-[4-(trifluoromethyl)piperidin-1-yl]pentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57390156
2-[(2S,4R)-1-[(4R)-1,1,1-trifluoro-7-methyloctan-4-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid
CID 59201219
2-(Trifluoromethyl)-DL-phenylglycine
CID 2777627
2-[4-[4-Methyl-1-[3-(trifluoromethyl)piperidin-1-yl]pentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57393666
2-(Dimethylamino)-2-phenylacetic acid
CID 315599
2-[4-[1-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylpentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57395386
2-[4-[4-Methyl-1-(4-methylpiperidin-1-yl)pentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57397214
2-[4-[1-(4-Fluoropiperidin-1-yl)-4-methylpentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57400606
2-[4-[1-(3,3-Difluoropyrrolidin-1-yl)-4-methylpentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 57402404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 71109778
2-(Methylamino)-2-(2-(trifluoromethyl)phenyl)acetic acid
CID 43753745
2-(Dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 22016552

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid (CID 115462802) is 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid is CC(C)N(Cc1ccccc1CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
The InChIKey is FLPPQZYLSYPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10(2)18(9-14(15,16)17)8-12-6-4-3-5-11(12)7-13(19)20/h3-6,10H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid?
2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid has a molecular weight of 289.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 115462802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).