N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide

C22H26ClF3N2O — CID 24905415

IUPACN'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2ccc(Cl)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C22H26ClF3N2O/c1-7-28(6)13-27-19-12-17(22(24,25)26)20(10-14(19)2)29-15-8-9-18(23)16(11-15)21(3,4)5/h8-13H,7H2,1-6H3/b27-13+
InChIKeyIBBKYECIOZKJAQ-UVHMKAGCSA-N
MW426.91 g/mol
LogP7.37
Rot. Bonds5

About N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 24905415) has the molecular formula C22H26ClF3N2O and a molecular weight of 426.91 g/mol. Its IUPAC name is N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID24905415
Molecular FormulaC22H26ClF3N2O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC NameN'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2ccc(Cl)c(C(C)(C)C)c2)cc1C
InChIInChI=1S/C22H26ClF3N2O/c1-7-28(6)13-27-19-12-17(22(24,25)26)20(10-14(19)2)29-15-8-9-18(23)16(11-15)21(3,4)5/h8-13H,7H2,1-6H3/b27-13+
InChIKeyIBBKYECIOZKJAQ-UVHMKAGCSA-N
XLogP7.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 57.37
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'}

Analyze N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 9800254
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 9841322
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-cyanomethanimidamide
CID 9842179
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N,N-diethylmethanimidamide
CID 9863869
N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 10248439
N'-[4-[4-cyano-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 10362100
4-[4-Chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
CID 15544589
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 22481240
N-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-1-piperidin-1-ylmethanimine
CID 51039122
N'-[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 57814408
N'-[4-(3-tert-butylphenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 58214383
N'-[2,5-dimethyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 58214387

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide (CID 24905415) is N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)(F)F)c(Oc2ccc(Cl)c(C(C)(C)C)c2)cc1C.
What is the InChIKey of N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is IBBKYECIOZKJAQ-UVHMKAGCSA-N. The full InChI is InChI=1S/C22H26ClF3N2O/c1-7-28(6)13-27-19-12-17(22(24,25)26)20(10-14(19)2)29-15-8-9-18(23)16(11-15)21(3,4)5/h8-13H,7H2,1-6H3/b27-13+.
What are the key properties of N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 426.91 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 24905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).