tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate

C20H22F3NO2 — CID 69158393

IUPACtert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)13-24-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,24H,12-13H2,1-3H3
InChIKeyFIQNQYKYOOCGFV-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.80
Rot. Bonds5

About tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate

tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate (PubChem CID 69158393) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
PubChem CID69158393
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Nametert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
SMILESCC(C)(C)OC(=O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)13-24-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,24H,12-13H2,1-3H3
InChIKeyFIQNQYKYOOCGFV-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzoate
CID 67188113
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]acetate;hydroiodide
CID 111783977
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
tert-butyl 2-[[4-(2-methylsulfonyloxyethyl)phenyl]methylamino]acetate
CID 87200033
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
(4-formylphenyl) 4-(4-methylphenyl)benzoate;[4-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]phenyl] 4-(4-methylphenyl)benzoate
CID 161397885

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate?
The IUPAC name of tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate (CID 69158393) is tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate is CC(C)(C)OC(=O)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate?
The InChIKey is FIQNQYKYOOCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-19(2,3)26-18(25)13-24-12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20(21,22)23/h4-11,24H,12-13H2,1-3H3.
What are the key properties of tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate?
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate has a molecular weight of 365.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate is sourced from PubChem (CID 69158393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).