N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide

C18H20F2N2 — CID 154647678

IUPACN-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Cc2cccc(F)c2)c1C
InChIInChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-11-17(20)10-15(13(18)2)8-14-6-5-7-16(19)9-14/h5-7,9-12H,4,8H2,1-3H3/b21-12+
InChIKeyXPOCYQHILHTCOO-CIAFOILYSA-N
MW302.37 g/mol
LogP4.48
Rot. Bonds5

About N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide (PubChem CID 154647678) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
PubChem CID154647678
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Cc2cccc(F)c2)c1C
InChIInChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-11-17(20)10-15(13(18)2)8-14-6-5-7-16(19)9-14/h5-7,9-12H,4,8H2,1-3H3/b21-12+
InChIKeyXPOCYQHILHTCOO-CIAFOILYSA-N
XLogP4.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.48
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'-[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
(3-fluorophenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethylbenzoate
CID 155325082
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647900
N'-[3-(2,4-difluoro-N-methylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154648101
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
CID 167445284
ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
CID 176688125
N'-[3-(3-chloro-5-fluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647865
5-chloro-3-[(3-fluorophenyl)methyl]-2-methylaniline
CID 157020701
N-ethyl-N'-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)-2-pyridinyl]amino]phenyl]-N-methylmethanimidamide
CID 154647614
4-[[ethyl(methyl)amino]methylideneamino]-2,3-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]benzoic acid;hydrochloride
CID 162371239

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide (CID 154647678) is N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)cc(Cc2cccc(F)c2)c1C.
What is the InChIKey of N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide?
The InChIKey is XPOCYQHILHTCOO-CIAFOILYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-4-22(3)12-21-18-11-17(20)10-15(13(18)2)8-14-6-5-7-16(19)9-14/h5-7,9-12H,4,8H2,1-3H3/b21-12+.
What are the key properties of N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide has a molecular weight of 302.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-fluoro-3-[(3-fluorophenyl)methyl]-2-methylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 154647678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).