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

C19H20FN3 — CID 154647984

IUPACN'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Cc2cccc(C#N)c2)c1C
InChIInChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-18(20)10-17(14(19)2)9-15-6-5-7-16(8-15)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeyUHJYYVSEEBQJAD-LPYMAVHISA-N
MW309.39 g/mol
LogP4.21
Rot. Bonds5

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

N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154647984) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154647984
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC NameN'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Cc2cccc(C#N)c2)c1C
InChIInChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-18(20)10-17(14(19)2)9-15-6-5-7-16(8-15)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeyUHJYYVSEEBQJAD-LPYMAVHISA-N
XLogP4.21
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.21
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-ethyl-N'-[5-fluoro-2-methyl-3-[(3-nitrophenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647707
N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197821
N'-[2-(aminomethyl)-4-[(3-chlorophenyl)methyl]-5-cyanophenyl]-N-ethyl-N-methylmethanimidamide
CID 174951870
N-ethyl-N'-[2-fluoro-4-[(4-fluorophenyl)methyl]-5-methylphenyl]-N-methylmethanimidamide
CID 146197682
N-ethyl-N'-[5-methoxy-2-methyl-3-[(2-methylphenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647774
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679
3-[(2-amino-3,5-difluoro-N-methylanilino)methyl]benzonitrile
CID 115506950
3-propylbenzonitrile
CID 18415311
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
N-ethyl-N'-[5-fluoro-4-[3-[(3-fluorophenyl)methoxy]oxetan-3-yl]-2-methylphenyl]-N-methylmethanimidamide
CID 167445284
N'-(5-cyano-2-methyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-methylmethanimidamide
CID 121318687
3-[[2-(dimethylamino)ethyl-ethylamino]methyl]benzonitrile
CID 170695975

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 154647984) is N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)cc(Cc2cccc(C#N)c2)c1C.
What is the InChIKey of N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UHJYYVSEEBQJAD-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20FN3/c1-4-23(3)13-22-19-11-18(20)10-17(14(19)2)9-15-6-5-7-16(8-15)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+.
What are the key properties of N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 309.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154647984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).