methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate

C18H19F3N2O3 — CID 118176606

IUPACmethyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,16(24)25-3)23-10-12-4-7-14(8-5-12)26-15-9-6-13(11-22-15)18(19,20)21/h4-9,11,23H,10H2,1-3H3
InChIKeyBIVOULSGJPXYFZ-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.93
Rot. Bonds6

About methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate

methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate (PubChem CID 118176606) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
PubChem CID118176606
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Namemethyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
SMILESCOC(=O)C(C)(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,16(24)25-3)23-10-12-4-7-14(8-5-12)26-15-9-6-13(11-22-15)18(19,20)21/h4-9,11,23H,10H2,1-3H3
InChIKeyBIVOULSGJPXYFZ-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629
5-chloro-1-methyl-3-(trifluoromethyl)-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]pyrazole-4-carboxamide
CID 123729320
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
butyl 2-methyl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]hexanoate
CID 139807732
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015
6-[4-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68752063
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The IUPAC name of methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate (CID 118176606) is methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate is COC(=O)C(C)(C)NCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
The InChIKey is BIVOULSGJPXYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-17(2,16(24)25-3)23-10-12-4-7-14(8-5-12)26-15-9-6-13(11-22-15)18(19,20)21/h4-9,11,23H,10H2,1-3H3.
What are the key properties of methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate?
methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate has a molecular weight of 368.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate is sourced from PubChem (CID 118176606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).