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

C18H20ClFN2O — CID 68589665

IUPACN'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(Cl)c2)cc1C
InChIInChI=1S/C18H20ClFN2O/c1-5-22(4)11-21-17-6-13(3)18(7-12(17)2)23-16-9-14(19)8-15(20)10-16/h6-11H,5H2,1-4H3/b21-11+
InChIKeyAPUYEAMNJNILQT-SRZZPIQSSA-N
MW334.82 g/mol
LogP5.50
Rot. Bonds5

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

N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 68589665) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID68589665
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC NameN'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(Cl)c2)cc1C
InChIInChI=1S/C18H20ClFN2O/c1-5-22(4)11-21-17-6-13(3)18(7-12(17)2)23-16-9-14(19)8-15(20)10-16/h6-11H,5H2,1-4H3/b21-11+
InChIKeyAPUYEAMNJNILQT-SRZZPIQSSA-N
XLogP5.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.82
LogP ≤ 55.50
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
N-ethyl-N'-[4-(2,2,3,4,4,4-hexafluorobutoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 57379021
N'-[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 57814408

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 68589665) is N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2cc(F)cc(Cl)c2)cc1C.
What is the InChIKey of N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is APUYEAMNJNILQT-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-5-22(4)11-21-17-6-13(3)18(7-12(17)2)23-16-9-14(19)8-15(20)10-16/h6-11H,5H2,1-4H3/b21-11+.
What are the key properties of N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 334.82 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-chloro-5-fluorophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 68589665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).