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

C25H25F3N2O — CID 68596093

IUPACN'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C
InChIInChI=1S/C25H25F3N2O/c1-5-30(4)16-29-23-14-18(3)24(15-17(23)2)31-22-12-8-20(9-13-22)19-6-10-21(11-7-19)25(26,27)28/h6-16H,5H2,1-4H3/b29-16+
InChIKeyVPHFAHMJCRFEBR-MUFRIFMGSA-N
MW426.48 g/mol
LogP7.39
Rot. Bonds6

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

N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68596093) has the molecular formula C25H25F3N2O and a molecular weight of 426.48 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68596093
Molecular FormulaC25H25F3N2O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC NameN'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C
InChIInChI=1S/C25H25F3N2O/c1-5-30(4)16-29-23-14-18(3)24(15-17(23)2)31-22-12-8-20(9-13-22)19-6-10-21(11-7-19)25(26,27)28/h6-16H,5H2,1-4H3/b29-16+
InChIKeyVPHFAHMJCRFEBR-MUFRIFMGSA-N
XLogP7.39
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.39
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-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide (CID 68596093) is N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is VPHFAHMJCRFEBR-MUFRIFMGSA-N. The full InChI is InChI=1S/C25H25F3N2O/c1-5-30(4)16-29-23-14-18(3)24(15-17(23)2)31-22-12-8-20(9-13-22)19-6-10-21(11-7-19)25(26,27)28/h6-16H,5H2,1-4H3/b29-16+.
What are the key properties of N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[4-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 426.48 g/mol, XLogP of 7.39, 6 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-[4-(trifluoromethyl)phenyl]phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68596093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).