2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid

C14H18F3NO2 — CID 62822180

IUPAC2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F3NO2/c1-4-18(13(2,3)12(19)20)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyZWTGRUOHQIIGLN-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.39
Rot. Bonds5

About 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid

2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid (PubChem CID 62822180) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
PubChem CID62822180
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H18F3NO2/c1-4-18(13(2,3)12(19)20)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20)
InChIKeyZWTGRUOHQIIGLN-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-difluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 65061427
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
CID 178067829
[ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamothioyl]sulfanyl N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamodithioate
CID 176733101
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-2-ynamide
CID 146083494
2-[ethyl-(2-hydroxy-2-phenylpropyl)amino]-2-methylpropanoic acid
CID 62820426
2-[3,3-dimethylbutanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197079
tert-butyl N-benzyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 141074386
phenyl-[[4-(trifluoromethyl)phenyl]methyl]carbamic acid;2,2,2-trifluoroacetic acid
CID 158988561
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
2-[ethyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-methylpropanoic acid
CID 62820285

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid (CID 62822180) is 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid is CCN(Cc1ccc(C(F)(F)F)cc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid?
The InChIKey is ZWTGRUOHQIIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-4-18(13(2,3)12(19)20)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid has a molecular weight of 289.30 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62822180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).