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

C22H27FN2O3 — CID 167445137

IUPACN-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(OC)c3)COC2)cc1C
InChIInChI=1S/C22H27FN2O3/c1-5-25(3)15-24-21-11-20(23)19(9-16(21)2)22(13-27-14-22)28-12-17-7-6-8-18(10-17)26-4/h6-11,15H,5,12-14H2,1-4H3/b24-15+
InChIKeyRJBPREPUWCXDGM-BUVRLJJBSA-N
MW386.47 g/mol
LogP4.20
Rot. Bonds8

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

N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 167445137) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
PubChem CID167445137
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC NameN-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(OC)c3)COC2)cc1C
InChIInChI=1S/C22H27FN2O3/c1-5-25(3)15-24-21-11-20(23)19(9-16(21)2)22(13-27-14-22)28-12-17-7-6-8-18(10-17)26-4/h6-11,15H,5,12-14H2,1-4H3/b24-15+
InChIKeyRJBPREPUWCXDGM-BUVRLJJBSA-N
XLogP4.20
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[4-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methoxy]oxetan-3-yl]-5-methoxy-2-methylphenyl]-N-methylmethanimidamide
CID 167445260
N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 69048408
N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69042396
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N-ethyl-N'-[4-[C-[(3-methoxyphenyl)sulfanylmethyl]-N-methylcarbonimidoyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 135364015
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
CID 154647678
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide (CID 167445137) is N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C2(OCc3cccc(OC)c3)COC2)cc1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is RJBPREPUWCXDGM-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-5-25(3)15-24-21-11-20(23)19(9-16(21)2)22(13-27-14-22)28-12-17-7-6-8-18(10-17)26-4/h6-11,15H,5,12-14H2,1-4H3/b24-15+.
What are the key properties of N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 386.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-4-[3-[(3-methoxyphenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 167445137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).