N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C17H17ClF3N3O — CID 25158782

IUPACN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H17ClF3N3O/c1-4-24(3)10-23-12-7-11(2)16(22-9-12)25-13-5-6-15(18)14(8-13)17(19,20)21/h5-10H,4H2,1-3H3/b23-10+
InChIKeyDVKUNIYDTBXJGN-AUEPDCJTSA-N
MW371.79 g/mol
LogP5.47
Rot. Bonds5

About N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 25158782) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID25158782
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC NameN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C17H17ClF3N3O/c1-4-24(3)10-23-12-7-11(2)16(22-9-12)25-13-5-6-15(18)14(8-13)17(19,20)21/h5-10H,4H2,1-3H3/b23-10+
InChIKeyDVKUNIYDTBXJGN-AUEPDCJTSA-N
XLogP5.47
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-2-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
CID 58153434
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide;N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 158692390
6-(4-chloro-3-fluorophenoxy)-5-methylpyridine-3-carbaldehyde
CID 82716271
N'-[2-chloro-5-methyl-4-[2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197912
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-ethyl-N-methylbenzenecarboximidamide
CID 175877172
2,5-dichloro-4-[2-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-fluoro-3-pyridinyl]ethoxy]pyrimidine
CID 88532884
1-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)benzene
CID 59627189
N'-[4-[2-chloro-4-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-3,6-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 87302514
N'-[4-[2-(3,4-dichlorophenoxy)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362934
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229

Frequently Asked Questions

What is the IUPAC name of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 25158782) is N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is DVKUNIYDTBXJGN-AUEPDCJTSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c1-4-24(3)10-23-12-7-11(2)16(22-9-12)25-13-5-6-15(18)14(8-13)17(19,20)21/h5-10H,4H2,1-3H3/b23-10+.
What are the key properties of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 371.79 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methyl-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 25158782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).