N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C20H23FN2 — CID 66790825

IUPACN-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=Cc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2/c1-5-23(4)14-22-20-13-15(2)18(12-16(20)3)11-10-17-8-6-7-9-19(17)21/h6-14H,5H2,1-4H3/b11-10?,22-14+
InChIKeyUMKPUVZVTJWUTG-YNQVCSOFSA-N
MW310.42 g/mol
LogP5.22
Rot. Bonds5

About N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 66790825) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID66790825
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC NameN-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C=Cc2ccccc2F)cc1C
InChIInChI=1S/C20H23FN2/c1-5-23(4)14-22-20-13-15(2)18(12-16(20)3)11-10-17-8-6-7-9-19(17)21/h6-14H,5H2,1-4H3/b11-10?,22-14+
InChIKeyUMKPUVZVTJWUTG-YNQVCSOFSA-N
XLogP5.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.22
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-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

Amitraz
CID 36324
N,N-Dimethyl-N'-(2,3-dimethylphenyl)formamidine
CID 18962
N,N-Dimethyl-N'-(3,4-dimethylphenyl)formamidine
CID 25766
N'-Carvacryl-N,N-dimethylformamidine
CID 58271
N,N-dimethyl-N'-(2-phenylphenyl)methanimidamide
CID 58279
N,N-Dimethyl-N'-(5,6,7,8-tetrahydronaphth-1-yl)formamidine
CID 58299
Triethyl-[6-methyl-4-(4-methylphenyl)-4-(trifluoromethyl)quinazolin-3-id-2-yl]azanium
CID 11486497
N'-[2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N,N-dimethylmethanimidamide
CID 9862509
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenyl]phenyl]-N,N-dimethylmethanimidamide
CID 9948978
4-(4-Fluoro-2-methylphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
CID 19784499
N'-(2-fluoro-4-methylphenyl)-N-[(2-fluoro-4-methylphenyl)iminomethyl]-N-methylmethanimidamide
CID 20520631
2-amino-7,8-dimethyl-5-(p-fluorophenyl)-3H-1,4-benzodiazepine
CID 22153712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 66790825) is N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C=Cc2ccccc2F)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is UMKPUVZVTJWUTG-YNQVCSOFSA-N. The full InChI is InChI=1S/C20H23FN2/c1-5-23(4)14-22-20-13-15(2)18(12-16(20)3)11-10-17-8-6-7-9-19(17)21/h6-14H,5H2,1-4H3/b11-10?,22-14+.
What are the key properties of N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 310.42 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 66790825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).