N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide

C20H23F3N2O — CID 58214387

IUPACN'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(C)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-6-25(5)12-24-18-9-15(4)19(10-14(18)3)26-16-8-7-13(2)17(11-16)20(21,22)23/h7-12H,6H2,1-5H3/b24-12+
InChIKeyPDONIBFHKVGDLN-WYMPLXKRSA-N
MW364.41 g/mol
LogP6.03
Rot. Bonds5

About N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 58214387) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID58214387
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC NameN'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(C)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C20H23F3N2O/c1-6-25(5)12-24-18-9-15(4)19(10-14(18)3)26-16-8-7-13(2)17(11-16)20(21,22)23/h7-12H,6H2,1-5H3/b24-12+
InChIKeyPDONIBFHKVGDLN-WYMPLXKRSA-N
XLogP6.03
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (CID 58214387) is N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ccc(C)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is PDONIBFHKVGDLN-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-6-25(5)12-24-18-9-15(4)19(10-14(18)3)26-16-8-7-13(2)17(11-16)20(21,22)23/h7-12H,6H2,1-5H3/b24-12+.
What are the key properties of N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 364.41 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 58214387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).