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

C19H20ClF3N2O — CID 69039484

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20ClF3N2O/c1-5-24-11-25(4)17-8-13(3)18(9-12(17)2)26-14-6-7-16(20)15(10-14)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+
InChIKeySZYBOMUAWKSTLY-BHGWPJFGSA-N
MW384.83 g/mol
LogP6.25
Rot. Bonds5

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

N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide (PubChem CID 69039484) has the molecular formula C19H20ClF3N2O and a molecular weight of 384.83 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide
PubChem CID69039484
Molecular FormulaC19H20ClF3N2O
Molecular Weight384.83 g/mol
Exact Mass384.12
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide
SMILESCC/N=C/N(C)c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20ClF3N2O/c1-5-24-11-25(4)17-8-13(3)18(9-12(17)2)26-14-6-7-16(20)15(10-14)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+
InChIKeySZYBOMUAWKSTLY-BHGWPJFGSA-N
XLogP6.25
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.83
LogP ≤ 56.25
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-[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
4-[4-Chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
CID 15544589
N-tert-butyl-4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylaniline
CID 20626706
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
CID 22481240
1-[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-1,3-diethyl-3-methylurea
CID 23434358
3-[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-1-ethyl-1-methylurea
CID 23434367
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide (CID 69039484) is N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide is CC/N=C/N(C)c1cc(C)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide?
The InChIKey is SZYBOMUAWKSTLY-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H20ClF3N2O/c1-5-24-11-25(4)17-8-13(3)18(9-12(17)2)26-14-6-7-16(20)15(10-14)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+.
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide?
N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide has a molecular weight of 384.83 g/mol, XLogP of 6.25, 5 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-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N'-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 69039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).