N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide

C21H24F2N2O2 — CID 167445284

IUPACN-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(F)c3)COC2)cc1C
InChIInChI=1S/C21H24F2N2O2/c1-4-25(3)14-24-20-10-19(23)18(8-15(20)2)21(12-26-13-21)27-11-16-6-5-7-17(22)9-16/h5-10,14H,4,11-13H2,1-3H3/b24-14+
InChIKeyAPWSIOUOFOLQJY-ZVHZXABRSA-N
MW374.43 g/mol
LogP4.33
Rot. Bonds7

About N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 167445284) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
PubChem CID167445284
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC NameN-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(F)c3)COC2)cc1C
InChIInChI=1S/C21H24F2N2O2/c1-4-25(3)14-24-20-10-19(23)18(8-15(20)2)21(12-26-13-21)27-11-16-6-5-7-17(22)9-16/h5-10,14H,4,11-13H2,1-3H3/b24-14+
InChIKeyAPWSIOUOFOLQJY-ZVHZXABRSA-N
XLogP4.33
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-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-[3-[(2-cyanophenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 167445268
N-ethyl-N'-[4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]oxetan-3-yl]-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 167445260
N'-[2,5-dimethyl-4-[3-[[2-(trifluoromethoxy)phenyl]methoxy]oxetan-3-yl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 167445095
N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
CID 154647678
(3-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethylbenzoate
CID 155325082
[3-(trifluoromethyl)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2-fluoro-5-methylbenzoate
CID 155325110
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
CID 176688125
N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
N'-[4-[(3-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 151932183

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide (CID 167445284) is N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(F)c3)COC2)cc1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is APWSIOUOFOLQJY-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-4-25(3)14-24-20-10-19(23)18(8-15(20)2)21(12-26-13-21)27-11-16-6-5-7-17(22)9-16/h5-10,14H,4,11-13H2,1-3H3/b24-14+.
What are the key properties of N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 374.43 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 167445284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).