N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

C20H25FN4 — CID 91496481

IUPACN-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(C)/N=N/c2ccccc2F)cc1C
InChIInChI=1S/C20H25FN4/c1-6-25(5)13-22-20-12-14(2)17(11-15(20)3)16(4)23-24-19-10-8-7-9-18(19)21/h7-13,16H,6H2,1-5H3/b22-13+,24-23+
InChIKeyPSNXGMUDPJQJNU-QTANEOQUSA-N
MW340.45 g/mol
LogP5.90
Rot. Bonds6

About N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 91496481) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID91496481
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC NameN-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(C(C)/N=N/c2ccccc2F)cc1C
InChIInChI=1S/C20H25FN4/c1-6-25(5)13-22-20-12-14(2)17(11-15(20)3)16(4)23-24-19-10-8-7-9-18(19)21/h7-13,16H,6H2,1-5H3/b22-13+,24-23+
InChIKeyPSNXGMUDPJQJNU-QTANEOQUSA-N
XLogP5.90
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
N-[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanyl-N'-(4-fluoro-2-propan-2-ylphenyl)-N-methylmethanimidamide
CID 53823788
N-ethyl-N'-[4-[(E)-2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 57814407
N-ethyl-N'-[4-[2-(2-fluorophenyl)ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 57814409
N'-[2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 58214412
N-ethyl-N'-[4-[(Z)-2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 66790824
N-ethyl-N'-[4-[2-(2-fluorophenyl)ethenyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 66790825
N'-[4-[[3-cyclopentyl-4-(trifluoromethyl)phenyl]methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68585974
N'-[2,5-dimethyl-4-[[4-(trifluoromethyl)-3-(trimethylsilylmethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68586080
N'-[4-(4-tert-butylphenyl)-2-ethyl-5-(trifluoromethyl)phenyl]-N-ethyl-N-methylmethanimidamide
CID 68586902
N'-[4-(4-tert-butylphenyl)-5-(fluoromethyl)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68588365

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 91496481) is N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(C(C)/N=N/c2ccccc2F)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is PSNXGMUDPJQJNU-QTANEOQUSA-N. The full InChI is InChI=1S/C20H25FN4/c1-6-25(5)13-22-20-12-14(2)17(11-15(20)3)16(4)23-24-19-10-8-7-9-18(19)21/h7-13,16H,6H2,1-5H3/b22-13+,24-23+.
What are the key properties of N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 340.45 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[1-[(2-fluorophenyl)diazenyl]ethyl]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 91496481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).