N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

C19H20ClF3N2 — CID 154647900

IUPACN'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)cc(Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H20ClF3N2/c1-4-25(3)12-24-18-11-17(20)10-15(13(18)2)9-14-5-7-16(8-6-14)19(21,22)23/h5-8,10-12H,4,9H2,1-3H3/b24-12+
InChIKeyGXNLGIKYKZMSOP-WYMPLXKRSA-N
MW368.83 g/mol
LogP5.87
Rot. Bonds5

About N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154647900) has the molecular formula C19H20ClF3N2 and a molecular weight of 368.83 g/mol. Its IUPAC name is N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154647900
Molecular FormulaC19H20ClF3N2
Molecular Weight368.83 g/mol
Exact Mass368.13
IUPAC NameN'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)cc(Cc2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C19H20ClF3N2/c1-4-25(3)12-24-18-11-17(20)10-15(13(18)2)9-14-5-7-16(8-6-14)19(21,22)23/h5-8,10-12H,4,9H2,1-3H3/b24-12+
InChIKeyGXNLGIKYKZMSOP-WYMPLXKRSA-N
XLogP5.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.83
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-[5-cyano-3-[(4-fluorophenyl)methyl]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647967
N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146381089
N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647984
N-ethyl-N'-[5-fluoro-2-methyl-3-[(3-nitrophenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647707
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]benzoic acid;hydrochloride
CID 162371239
N'-[2-chloro-5-methyl-4-[N-methyl-3,5-bis(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322821
N'-[4-[2-(4-tert-butylphenyl)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 170655932
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
[2-fluoro-4-(trifluoromethyl)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-3-methyl-2-(trifluoromethyl)benzoate
CID 155325281
N-ethyl-N'-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 58214447

Frequently Asked Questions

What is the IUPAC name of N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide (CID 154647900) is N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)cc(Cc2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is GXNLGIKYKZMSOP-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H20ClF3N2/c1-4-25(3)12-24-18-11-17(20)10-15(13(18)2)9-14-5-7-16(8-6-14)19(21,22)23/h5-8,10-12H,4,9H2,1-3H3/b24-12+.
What are the key properties of N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 368.83 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154647900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).