N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C25H31F3N2O — CID 68595327

IUPACN'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(C3CCCCC3)cc2C(F)(F)F)cc1C
InChIInChI=1S/C25H31F3N2O/c1-5-30(4)16-29-22-13-18(3)24(14-17(22)2)31-23-12-11-20(15-21(23)25(26,27)28)19-9-7-6-8-10-19/h11-16,19H,5-10H2,1-4H3/b29-16+
InChIKeyAJGUOLDONGMYQY-MUFRIFMGSA-N
MW432.53 g/mol
LogP7.77
Rot. Bonds6

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

N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68595327) has the molecular formula C25H31F3N2O and a molecular weight of 432.53 g/mol. Its IUPAC name is N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68595327
Molecular FormulaC25H31F3N2O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC NameN'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2ccc(C3CCCCC3)cc2C(F)(F)F)cc1C
InChIInChI=1S/C25H31F3N2O/c1-5-30(4)16-29-22-13-18(3)24(14-17(22)2)31-23-12-11-20(15-21(23)25(26,27)28)19-9-7-6-8-10-19/h11-16,19H,5-10H2,1-4H3/b29-16+
InChIKeyAJGUOLDONGMYQY-MUFRIFMGSA-N
XLogP7.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 57.77
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'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 68595327) is N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2ccc(C3CCCCC3)cc2C(F)(F)F)cc1C.
What is the InChIKey of N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is AJGUOLDONGMYQY-MUFRIFMGSA-N. The full InChI is InChI=1S/C25H31F3N2O/c1-5-30(4)16-29-22-13-18(3)24(14-17(22)2)31-23-12-11-20(15-21(23)25(26,27)28)19-9-7-6-8-10-19/h11-16,19H,5-10H2,1-4H3/b29-16+.
What are the key properties of N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 432.53 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[4-cyclohexyl-2-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68595327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).