N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C18H24F3N3O2 — CID 134531708

IUPACN'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(C(F)(F)F)C(C)(C)C#N)cc1C
InChIInChI=1S/C18H24F3N3O2/c1-7-24(5)11-23-14-9-15(26-6)13(8-12(14)2)17(25,18(19,20)21)16(3,4)10-22/h8-9,11,25H,7H2,1-6H3/b23-11+
InChIKeyMMNBVMLNFFPJPM-FOKLQQMPSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds6

About N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 134531708) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID134531708
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(C(O)(C(F)(F)F)C(C)(C)C#N)cc1C
InChIInChI=1S/C18H24F3N3O2/c1-7-24(5)11-23-14-9-15(26-6)13(8-12(14)2)17(25,18(19,20)21)16(3,4)10-22/h8-9,11,25H,7H2,1-6H3/b23-11+
InChIKeyMMNBVMLNFFPJPM-FOKLQQMPSA-N
XLogP3.91
TPSA68.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-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-ethyl-N'-[4-(2-hydroxy-4-methylpentan-2-yl)-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 147037586
N-ethyl-N'-[5-methoxy-2-methyl-4-[1,1,1-trifluoro-2-hydroxy-3-(2-methylpropoxy)propan-2-yl]phenyl]-N-methylmethanimidamide
CID 134531766
N'-[4-(1-cyclohexyl-1-hydroxyethyl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146907182
N'-[4-[(4E)-4-ethoxyimino-1,1,1-trifluoro-2-hydroxypentan-2-yl]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 137362213
N'-[4-[3-[2-(3,4-dimethoxyphenyl)ethoxy]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 134531818
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N-ethyl-N'-[2-ethyl-5-methoxy-4-[2,2,2-trifluoro-1-hydroxy-1-(oxan-4-yl)ethyl]phenyl]-N-methylmethanimidamide
CID 162620608
N'-[5-methoxy-2-methyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-hydroxyethyl]phenyl]-N-methyl-N-propan-2-ylmethanimidamide
CID 129274745
N'-[2,5-dimethyl-4-(4,4,4-trifluorobutanoyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 170655962
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
N-ethyl-N'-[4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]oxetan-3-yl]-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 167445260
(4,5-difluoro-2-methoxyphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155324766

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 134531708) is N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(C(O)(C(F)(F)F)C(C)(C)C#N)cc1C.
What is the InChIKey of N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is MMNBVMLNFFPJPM-FOKLQQMPSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-7-24(5)11-23-14-9-15(26-6)13(8-12(14)2)17(25,18(19,20)21)16(3,4)10-22/h8-9,11,25H,7H2,1-6H3/b23-11+.
What are the key properties of N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-cyano-1,1,1-trifluoro-2-hydroxy-3-methylbutan-2-yl)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 134531708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).