N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide

C18H20F2N2O — CID 68587224

IUPACN'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(Oc2ccccc2)cc1C
InChIInChI=1S/C18H20F2N2O/c1-4-22(3)12-21-16-11-15(18(19)20)17(10-13(16)2)23-14-8-6-5-7-9-14/h5-12,18H,4H2,1-3H3/b21-12+
InChIKeyQLMZYDQCTWROLW-CIAFOILYSA-N
MW318.37 g/mol
LogP5.34
Rot. Bonds6

About N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68587224) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68587224
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C(F)F)c(Oc2ccccc2)cc1C
InChIInChI=1S/C18H20F2N2O/c1-4-22(3)12-21-16-11-15(18(19)20)17(10-13(16)2)23-14-8-6-5-7-9-14/h5-12,18H,4H2,1-3H3/b21-12+
InChIKeyQLMZYDQCTWROLW-CIAFOILYSA-N
XLogP5.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.34
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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Related Compounds

N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine
CID 25767
N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide
CID 4830591
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'-[2-bromo-3,6-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanimidamide
CID 9866511
N-cyano-N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]methanimidamide
CID 9884059
N'-[2,6-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanimidamide
CID 9905791
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
N-ethyl-N-methyl-N'-[2-methyl-5-(trifluoromethyl)-4-(3-trimethylsilylpropoxy)phenyl]methanimidamide
CID 11693263

Frequently Asked Questions

What is the IUPAC name of N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide (CID 68587224) is N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C(F)F)c(Oc2ccccc2)cc1C.
What is the InChIKey of N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is QLMZYDQCTWROLW-CIAFOILYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-4-22(3)12-21-16-11-15(18(19)20)17(10-13(16)2)23-14-8-6-5-7-9-14/h5-12,18H,4H2,1-3H3/b21-12+.
What are the key properties of N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 318.37 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(difluoromethyl)-2-methyl-4-phenoxyphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68587224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).