methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate

C19H25F3N2O2 — CID 70873955

IUPACmethyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate
SMILESCCN(C1=CNC1C(C)(C)C)c1cc(C(F)(F)F)cc(C(=O)OC)c1C
InChIInChI=1S/C19H25F3N2O2/c1-7-24(15-10-23-16(15)18(3,4)5)14-9-12(19(20,21)22)8-13(11(14)2)17(25)26-6/h8-10,16,23H,7H2,1-6H3
InChIKeyUEURBYZTENMRIJ-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.49
Rot. Bonds4

About methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate

methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate (PubChem CID 70873955) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate
PubChem CID70873955
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Namemethyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate
SMILESCCN(C1=CNC1C(C)(C)C)c1cc(C(F)(F)F)cc(C(=O)OC)c1C
InChIInChI=1S/C19H25F3N2O2/c1-7-24(15-10-23-16(15)18(3,4)5)14-9-12(19(20,21)22)8-13(11(14)2)17(25)26-6/h8-10,16,23H,7H2,1-6H3
InChIKeyUEURBYZTENMRIJ-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate?
The IUPAC name of methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate (CID 70873955) is methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate is CCN(C1=CNC1C(C)(C)C)c1cc(C(F)(F)F)cc(C(=O)OC)c1C.
What is the InChIKey of methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate?
The InChIKey is UEURBYZTENMRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-7-24(15-10-23-16(15)18(3,4)5)14-9-12(19(20,21)22)8-13(11(14)2)17(25)26-6/h8-10,16,23H,7H2,1-6H3.
What are the key properties of methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate?
methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate has a molecular weight of 370.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-tert-butyl-1,2-dihydroazet-3-yl)-ethylamino]-2-methyl-5-(trifluoromethyl)benzoate is sourced from PubChem (CID 70873955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).