N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide

C19H22ClFN2O — CID 68589190

IUPACN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(Cl)c(F)c2)cc1C)CC
InChIInChI=1S/C19H22ClFN2O/c1-5-23(6-2)12-22-18-9-14(4)19(10-13(18)3)24-15-7-8-16(20)17(21)11-15/h7-12H,5-6H2,1-4H3/b22-12+
InChIKeyINASRPYPWMEUGP-WSDLNYQXSA-N
MW348.85 g/mol
LogP5.89
Rot. Bonds6

About N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide

N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide (PubChem CID 68589190) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
PubChem CID68589190
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC NameN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide
SMILESCCN(/C=N/c1cc(C)c(Oc2ccc(Cl)c(F)c2)cc1C)CC
InChIInChI=1S/C19H22ClFN2O/c1-5-23(6-2)12-22-18-9-14(4)19(10-13(18)3)24-15-7-8-16(20)17(21)11-15/h7-12H,5-6H2,1-4H3/b22-12+
InChIKeyINASRPYPWMEUGP-WSDLNYQXSA-N
XLogP5.89
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.85
LogP ≤ 55.89
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'-(2-chloro-4-(2-fluorophenoxy)-5-methylphenyl)-N-ethyl-N-methylmethanimidamide
CID 124139885
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-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 22481240
N'-[4-(3-bromo-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 24905410
N'-[4-(3-tert-butyl-4-chlorophenoxy)-2-methyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 24905415
N-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-1-piperidin-1-ylmethanimine
CID 51039122
11-chloro-2-methoxy-3-(trifluoromethyl)-8H-quinazolino[3,2-c]quinazoline
CID 54669973
N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 57379021

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
The IUPAC name of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide (CID 68589190) is N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
The canonical SMILES for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide is CCN(/C=N/c1cc(C)c(Oc2ccc(Cl)c(F)c2)cc1C)CC.
What is the InChIKey of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
The InChIKey is INASRPYPWMEUGP-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-5-23(6-2)12-22-18-9-14(4)19(10-13(18)3)24-15-7-8-16(20)17(21)11-15/h7-12H,5-6H2,1-4H3/b22-12+.
What are the key properties of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide?
N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide has a molecular weight of 348.85 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N,N-diethylmethanimidamide is sourced from PubChem (CID 68589190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).