N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

C20H24F3N3 — CID 146197787

IUPACN'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C20H24F3N3/c1-6-25(4)13-24-17-11-15(3)19(12-14(17)2)26(5)18-10-8-7-9-16(18)20(21,22)23/h7-13H,6H2,1-5H3/b24-13+
InChIKeyGCISFBSHNNZNJB-ZMOGYAJESA-N
MW363.43 g/mol
LogP5.70
Rot. Bonds5

About N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197787) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197787
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC NameN'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccccc2C(F)(F)F)cc1C
InChIInChI=1S/C20H24F3N3/c1-6-25(4)13-24-17-11-15(3)19(12-14(17)2)26(5)18-10-8-7-9-16(18)20(21,22)23/h7-13H,6H2,1-5H3/b24-13+
InChIKeyGCISFBSHNNZNJB-ZMOGYAJESA-N
XLogP5.70
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.70
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'}

Analyze N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-chloro-5-methyl-4-[2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197912
N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322898
N'-[2-chloro-5-methyl-4-[N-methyl-3,5-bis(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322821
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 163372573
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[2,5-dimethyl-4-[4-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197813
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
CID 118310253
N'-(2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide
CID 66796149
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
CID 163372679
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197869
N'-[2,5-dimethyl-4-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]sulfanylphenyl]-N-ethyl-N-methylmethanimidamide
CID 71722739
N'-[4-(3-chloro-N-methylanilino)-2-fluoro-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 151658786

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide (CID 146197787) is N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2ccccc2C(F)(F)F)cc1C.
What is the InChIKey of N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is GCISFBSHNNZNJB-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H24F3N3/c1-6-25(4)13-24-17-11-15(3)19(12-14(17)2)26(5)18-10-8-7-9-16(18)20(21,22)23/h7-13H,6H2,1-5H3/b24-13+.
What are the key properties of N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 363.43 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).